@Preamble{"\input ijqc.sty"}
@String{ack-nhfb = "Nelson H. F. Beebe,
University of Utah,
Department of Mathematics, 110 LCB,
155 S 1400 E RM 233,
Salt Lake City, UT 84112-0090, USA,
Tel: +1 801 581 5254,
FAX: +1 801 581 4148,
e-mail: \path|beebe@math.utah.edu|,
\path|beebe@acm.org|,
\path|beebe@computer.org| (Internet),
URL: \path|https://www.math.utah.edu/~beebe/|"}
@String{j-IJQC = "International Journal of Quantum Chemistry"}
@String{j-IJQC-BIO-SYMP = "International Journal of Quantum Chemistry.
Quantum Biology Symposium:
Proceedings of the International
Symposium on Quantum Biology and
Quantum Pharmacology."}
@String{j-IJQC-QC-SYMP = "International Journal of Quantum
Chemistry. Quantum Chemistry Symposium"}
@String{j-IJQC-SYMP = "International Journal of Quantum
Chemistry. Symposium"}
@Article{Lowdin:1967:NQC,
author = "P. O. L{\"o}wdin",
title = "Nature of Quantum Chemistry",
journal = j-IJQC,
volume = "1",
number = "??",
pages = "1--??",
month = "??",
year = "1967",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:28 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Slater:1967:QPA,
author = "J. C. Slater",
title = "Quantum Physics in {America} Between the Wars",
journal = j-IJQC,
volume = "1S",
number = "??",
pages = "1--??",
month = "??",
year = "1967",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:28 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Slater:1967:CSS,
author = "J. C. Slater",
title = "The Current State of Solid-State and Molecular
Theory",
journal = j-IJQC,
volume = "1",
number = "??",
pages = "37--??",
month = "??",
year = "1967",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:28 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Johnson:1967:MSG,
author = "K. H. Johnson",
title = "Multiple Scattering ({Green}'s Function) Model For
Polyatomic Molecules {II}. Theory",
journal = j-IJQC,
volume = "1S",
number = "??",
pages = "361--??",
month = "??",
year = "1967",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:27 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
keywords = "X-Alpha MS-X-alpha",
}
@Article{Wahl:1967:EMI,
author = "A. C. Wahl and R. H. Land",
title = "The Evaluation of Multicenter Integrals by Polished
Brute Force Techniques. {I}. Analysis, Numerical
Methods, and Computational Design of the
Potential-Charge Distribution Scheme",
journal = j-IJQC,
volume = "1S",
number = "??",
pages = "375--??",
month = "??",
year = "1967",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:29 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lefebvre:1967:EHF,
author = "R. Lefebvre and Y. G. Smeyers",
title = "Extended {Hartree--Fock} Calculations For the Helium
Ground State",
journal = j-IJQC,
volume = "1",
number = "??",
pages = "403--??",
month = "??",
year = "1967",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:28 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Wilson:1967:LBE,
author = "T. M. Wilson",
title = "Lower Bounds to Eigenvalues of the {Schr{\"o}dinger}
Equation by the Partitioning Technique",
journal = j-IJQC,
volume = "1S",
number = "??",
pages = "511--??",
month = "??",
year = "1967",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:32 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Janoschek:1967:WAM,
author = "R. Janoschek and H. Preuss and G. Diercksen",
title = "{Wellenmechanische Absolutrechnungen an Molekulen und
Atomsystemen mit der SCF-MO-LC(LCGO) Methode XI. Das
Hydroxylanion (OH)$^-$}",
journal = j-IJQC,
volume = "1",
number = "??",
pages = "649--652",
month = "??",
year = "1967",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:27 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
keywords = "Diatomic",
}
@Article{Lowdin:1967:EPL,
author = "P. O. L{\"o}wdin",
title = "Eigenvalue Problem in {A} Linearly Dependent Basis and
the Super Secular Equation",
journal = j-IJQC,
volume = "1S",
number = "??",
pages = "811--??",
month = "??",
year = "1967",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:28 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lindner:1967:CSF,
author = "P. Lindner and S. Lunell",
title = "On the Choice of Spin Functions in the {AMO} Method",
journal = j-IJQC,
volume = "1",
number = "??",
pages = "841--??",
month = "??",
year = "1967",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:28 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Michels:1968:VCI,
author = "H. H. Michels and F. E. Harris",
title = "Valence Configuration Interaction Calculations For
Atomic Scattering",
journal = j-IJQC,
volume = "2",
number = "??",
pages = "21--27",
month = "??",
year = "1968",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:28 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Brandas:1968:SAC,
author = "Erkki J. Br{\"a}ndas",
title = "Scaled {AMO} Calculations on the Hydrogen Molecule.
{II}. the $1s {\Sigma} 2p {\Sigma} {}^1{\Sigma}_u^+$
State",
journal = j-IJQC,
volume = "2",
number = "??",
pages = "37--??",
month = "??",
year = "1968",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 03 19:06:21 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lowdin:1968:SCT,
author = "P. O. L{\"o}wdin",
title = "Some Comments on the Treatment of Symmetry Properties
in Perturbation Theory",
journal = j-IJQC,
volume = "2S",
number = "??",
pages = "137--??",
month = "??",
year = "1968",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:28 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lindner:1968:ULB,
author = "P. Lindner and P. O. L{\"o}wdin",
title = "Upper and Lower Bounds in Second-Order Perturbation
Theory and The {Uns{\"o}ld} Approximation",
journal = j-IJQC,
volume = "2S",
number = "??",
pages = "161--??",
month = "??",
year = "1968",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:28 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Marron:1968:VPE,
author = "M. T. Marron and J. H. Weare",
title = "A Variation Principle For Energy Differences Between
States of Two Different {Hamiltonians}",
journal = j-IJQC,
volume = "2",
number = "??",
pages = "729--??",
month = "??",
year = "1968",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:28 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Pipano:1968:CSC,
author = "A. Pipano and I. Shavitt",
title = "Convergence Studies in Configuration Interaction
Calculations",
journal = j-IJQC,
volume = "2",
number = "??",
pages = "741--??",
month = "??",
year = "1968",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:28 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
keywords = "CI",
}
@Article{Gershgorn:1968:APT,
author = "Z. Gershgorn and I. Shavitt",
title = "An Application of Perturbation Theory Ideas in
Configuration Interaction Calculations",
journal = j-IJQC,
volume = "2",
number = "??",
pages = "751--??",
month = "??",
year = "1968",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:27 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
keywords = "CI",
}
@Article{Goscinski:1968:CEP,
author = "O. Goscinski and Y. {\"O}hrn",
title = "Coupling of Equivalent Particles in {A} Field of Given
Symmetry",
journal = j-IJQC,
volume = "2",
number = "??",
pages = "845--??",
month = "??",
year = "1968",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:27 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lowdin:1968:SPT,
author = "P. O. L{\"o}wdin",
title = "Studies in Perturbation Theory. {XIII}. Treatment of
Constants of Motion in Resolvent Method, Partitioning
Technique, and Perturbation Theory",
journal = j-IJQC,
volume = "2",
number = "??",
pages = "867--??",
month = "??",
year = "1968",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:28 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Hirschfelder:1969:CWD,
author = "J. O. Hirschfelder",
title = "Coordinates Which Diagonalize the Kinetic Energy of
Relative Motion",
journal = j-IJQC,
volume = "3S",
number = "??",
pages = "17--??",
month = "??",
year = "1969",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:27 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kouba:1969:PME,
author = "J. Kouba and Y. {\"O}hrn",
title = "On the Projection of Many-Electron Spin Eigenstates",
journal = j-IJQC,
volume = "3",
number = "??",
pages = "513--??",
month = "??",
year = "1969",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:28 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lowdin:1969:EPS,
author = "P. O. L{\"o}wdin and O. Goscinski",
title = "The Exchange Phenomenon, the Symmetric Group, and the
Spin Degeneracy Problem",
journal = j-IJQC,
volume = "3S",
number = "??",
pages = "533--??",
month = "??",
year = "1969",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:28 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Thulstrup:1969:ALE,
author = "E. W. Thulstrup",
title = "Assignment of the Lowest Electronic Transitions in
Benzene, {C$_6$H$_6$}",
journal = j-IJQC,
volume = "3S",
number = "??",
pages = "641--??",
month = "??",
year = "1969",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:29 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Wallis:1969:VMA,
author = "A. Wallis and D. L. S. McElwain and H. O. Pritchard",
title = "The Variation Method and the Algebraic Eigenvalue
Problem",
journal = j-IJQC,
volume = "3",
number = "??",
pages = "711--??",
month = "??",
year = "1969",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:31 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Hirschfelder:1969:FRS,
author = "J. O. Hirschfelder",
title = "Formal {Rayleigh--Schr{\"o}dinger} Perturbation Theory
For Both Degenerate and Non-Degenerate Energy States",
journal = j-IJQC,
volume = "3",
number = "??",
pages = "731--??",
month = "??",
year = "1969",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:27 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Wilson:1969:SES,
author = "T. M. Wilson",
title = "A Study of the Electronic Structure of the First-Row
Transition-Metal Compounds",
journal = j-IJQC,
volume = "3S",
number = "??",
pages = "757--??",
month = "??",
year = "1969",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:34 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Wahl:1970:BNI,
author = "A. C. Wahl and P. Bertoncini and K. Kaiser and R.
Land",
title = "{BISON}: {A} New Instrument For the Experimentalist",
journal = j-IJQC,
volume = "3S",
number = "??",
pages = "499--??",
month = "??",
year = "1970",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:29 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Thompson:1970:MSS,
author = "J. Thompson and M. Povich and B. Musulin",
title = "Molecular Screening and Spectroscopic Constants",
journal = j-IJQC,
volume = "3S",
number = "??",
pages = "513--??",
month = "??",
year = "1970",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:29 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Smith:1970:IAS,
author = "D. W. Smith and E. G. Larson and R. C. Morrison",
title = "On the Interpretative Aspects of Second-Order Reduced
Density Matrices",
journal = j-IJQC,
volume = "3S",
number = "??",
pages = "689--??",
month = "??",
year = "1970",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:29 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lowdin:1970:CLB,
author = "P. O. L{\"o}wdin and T. K. Lim",
title = "Calculation of Lower Bounds to Energy Eigenvalues by
Reduced Density Matrices and the Representability
Problem",
journal = j-IJQC,
volume = "3S",
number = "??",
pages = "697--??",
month = "??",
year = "1970",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:28 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Slater:1970:SCF,
author = "J. C. Slater",
title = "The Self-Consistent Field For Crystals",
journal = j-IJQC,
volume = "3S",
number = "??",
pages = "727--?? (or 158--??)",
month = "??",
year = "1970",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:28 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Brandas:1970:CPS,
author = "E. Br{\"a}ndas and O. Goscinski",
title = "Critical Point, Singularities, and Extrapolations in
the Helium Isoelectronic Sequence",
journal = j-IJQC,
volume = "4",
number = "??",
pages = "571--??",
month = "??",
year = "1970",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 03 19:08:32 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Jain:1970:SSP,
author = "D. C. Jain",
title = "A Study of Some Potential Energy Functions For
Diatomic Molecules",
journal = j-IJQC,
volume = "4",
number = "??",
pages = "579--586",
month = "??",
year = "1970",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:27 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Jorgensen:1970:TDH,
author = "P. J{\o}rgensen and J. Linderberg",
title = "Time-Dependent {Hartree--Fock} Calculations in the
{Pariser--Parr--Pople} Model Applications to Aniline,
Azulene and Pyridine",
journal = j-IJQC,
volume = "4",
number = "??",
pages = "587--602",
month = "??",
year = "1970",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:27 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Slater:1970:NSP,
author = "J. C. Slater",
title = "Note on the Space Part of Antisymmetric
Wavefunctions",
journal = j-IJQC,
volume = "6",
number = "??",
pages = "561--??",
month = "??",
year = "1970",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:28 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Slater:1971:SET,
author = "J. C. Slater and J. H. Wood",
title = "Statistical Exchange and the Total Energy of {A}
Crystal",
journal = j-IJQC,
volume = "4",
number = "??",
pages = "3--??",
month = "??",
year = "1971",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:29 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Larson:1971:DMA,
author = "E. G. Larson and D. W. Smith",
title = "A Density Matrix Analysis of {Slater}'s
Hyper-{Hartree--Fock} Method",
journal = j-IJQC,
volume = "4",
number = "??",
pages = "87--??",
month = "??",
year = "1971",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:28 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Nesbet:1971:EPC,
author = "R. K. Nesbet",
title = "Electronic Pair Correlation in Atoms and Molecules",
journal = j-IJQC,
volume = "4",
number = "??",
pages = "117--??",
month = "??",
year = "1971",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:28 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lowdin:1971:SPI,
author = "P. O. L{\"o}wdin",
title = "Some Properties of Inner Projections",
journal = j-IJQC,
volume = "4",
number = "??",
pages = "231--237",
month = "??",
year = "1971",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:28 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Coleman:1971:RRF,
author = "A. J. Coleman",
title = "Recent Results on {Fermion} {$N$}-Representability",
journal = j-IJQC,
volume = "4",
number = "??",
pages = "355--??",
month = "??",
year = "1971",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:21 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Harriman:1971:DMA,
author = "J. E. Harriman",
title = "A Density Matrix Approach to Multiconfiguration
Calculations",
journal = j-IJQC,
volume = "4",
number = "??",
pages = "363--??",
month = "??",
year = "1971",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:27 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Liu:1971:ESN,
author = "H. P. D. Liu and G. Verhaegen",
title = "Electronic States of {NH} and {OH}+",
journal = j-IJQC,
volume = "5S",
number = "??",
pages = "103--??",
month = "??",
year = "1971",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:28 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
keywords = "Diatomic",
}
@Article{Goscinski:1971:PAP,
author = "O. Goscinski and E. Br{\"a}ndas",
title = "{Pad{\'e}} Approximants to Physical Properties Via
Inner Projections",
journal = j-IJQC,
volume = "5",
number = "??",
pages = "131--156",
month = "??",
year = "1971",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:27 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Bartlett:1971:GSR,
author = "R. J. Bartlett and E. J. Br{\"a}ndas",
title = "Geometric Sumrule and the Reduced Partitioning
Procedure",
journal = j-IJQC,
volume = "5",
number = "??",
pages = "151--??",
month = "??",
year = "1971",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 03 19:01:43 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Sperber:1971:ARDa,
author = "G. Sperber",
title = "Analysis of Reduced Density Matrices in the Coordinate
Representation. {I}. Definitions and Basic Formulas",
journal = j-IJQC,
volume = "5",
number = "??",
pages = "177--??",
month = "??",
year = "1971",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:29 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Sperber:1971:ARDb,
author = "G. Sperber",
title = "Analysis of Reduced Density Matrices in the Coordinate
Representation. {II}. the Structure of Closed-Shell
Atoms in the Restricted {Hartree--Fock} Approximation",
journal = j-IJQC,
volume = "5",
number = "??",
pages = "189--??",
month = "??",
year = "1971",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:29 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Slater:1971:TEA,
author = "J. C. Slater",
title = "Treatment of Exchange in Atomic, Molecular, and
Solid-State Theory",
journal = j-IJQC,
volume = "5",
number = "??",
pages = "403--??",
month = "??",
year = "1971",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:28 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Brailsford:1971:SPO,
author = "D. F. Brailsford and G. G. Hall",
title = "Symmetry Properties of One- and Two-Electron Molecular
Integrals",
journal = j-IJQC,
volume = "5",
number = "??",
pages = "657--668",
month = "??",
year = "1971",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 03 19:11:58 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lowdin:1971:SPT,
author = "P. O. L{\"o}wdin and O. Goscinski",
title = "Studies in Perturbation Theory. {XIV}. Treatment of
Constants of Motion, Degeneracies and Symmetry
Properties by Means of Multidimensional Partitioning",
journal = j-IJQC,
volume = "5",
number = "??",
pages = "685--??",
month = "??",
year = "1971",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:28 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Beebe:1972:NSS,
author = "Nelson H. F. Beebe",
title = "A Note on Space Spanning",
journal = j-IJQC,
volume = "6S",
pages = "439--441",
year = "1972",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 18:56:12 1996",
bibsource = "https://www.math.utah.edu/pub/bibnet/authors/b/beebe.bib;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Gallup:1972:EPM,
author = "G. A. Gallup",
title = "The {$N$}-Electron Problem and Matrices Representing
the Symmetric Groups",
journal = j-IJQC,
volume = "6",
number = "??",
pages = "761--778",
month = "??",
year = "1972",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:27 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Sperber:1972:CDM,
author = "G. R. Sperber",
title = "The Computation of Density Matrix Values in
Configuration Space",
journal = j-IJQC,
volume = "6",
number = "??",
pages = "795--797",
month = "??",
year = "1972",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:29 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Sperber:1972:ARD,
author = "G. Sperber",
title = "Analysis of Reduced Density Matrices in the Coordinate
Representation. {III}. Electron Density and Correlation
in the Ground States of {H$_2$} and The {H$_6$} Ring
System Within Some Approximations of the Simple {LCAO}
Type",
journal = j-IJQC,
volume = "6",
number = "??",
pages = "881--??",
month = "??",
year = "1972",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:29 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Gallup:1972:VBC,
author = "G. A. Gallup",
title = "Valence-Bond Calculations and Matrix Elements Between
Two Tableau Functions of Non-Orthogonal Orbitals",
journal = j-IJQC,
volume = "6",
number = "??",
pages = "899--910",
month = "??",
year = "1972",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:27 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Beebe:1972:POT,
author = "Nelson H. F. Beebe and Sten Lunell",
title = "A Projection Operator Technique for Orbital Basis
Variation",
journal = j-IJQC,
volume = "6",
pages = "1149--1155",
year = "1972",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 18:56:22 1996",
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https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kashiwagi:1973:GLO,
author = "H. Kashiwagi and F. Sasaki",
title = "A Generalization of the {L{\"o}wdin}
Orthogonalization",
journal = j-IJQC,
volume = "S7",
number = "??",
pages = "515--520",
month = "??",
year = "1973",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:27 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Elder:1973:UMS,
author = "M. Elder",
title = "Use of Molecular Symmetry in {SCF} Calculations",
journal = j-IJQC,
volume = "7",
number = "??",
pages = "75--85",
month = "??",
year = "1973",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:23 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Graovac:1973:SOM,
author = "A. Graovac and H. J. Monkhorst and T. Zivkovic",
title = "{Slater} Orbital Molecular Integrals with Numerical
{Fourier} Transform Methods. {I}. (Coplanar)
Multicenter Exchange Integrals over 1s Orbitals",
journal = j-IJQC,
volume = "7",
number = "??",
pages = "233--251",
month = "??",
year = "1973",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:27 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Beck:1974:EEC,
author = "D. R. Beck and C. A. Nicolaides",
title = "The Effect of Electron Correlation on Atomic
Properties",
journal = j-IJQC,
volume = "S8",
number = "??",
pages = "17--28",
month = "??",
year = "1974",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 03 19:03:57 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Caballol:1974:GOS,
author = "R. Caballol and R. Gallifa and J. M. Carbo Riera and
R. ???",
title = "Generalized Open Shell {SCF} Theory",
journal = j-IJQC,
volume = "8",
number = "??",
pages = "373--394",
month = "??",
year = "1974",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 03 19:13:02 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Sasaki:1974:MEC,
author = "F. Sasaki",
title = "Matrix Elements in Configuration Interaction
Calculations",
journal = j-IJQC,
volume = "8",
number = "??",
pages = "605--617",
month = "??",
year = "1974",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:28 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Linderberg:1974:DPH,
author = "J. Linderberg and D. Prato",
title = "Dynamic Polarizability of Helium: {A} Random Phase
Approximation Calculation",
journal = j-IJQC,
volume = "8",
number = "??",
pages = "901--913",
month = "??",
year = "1974",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:28 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Brandow:1975:FTE,
author = "B. H. Brandow",
title = "Formal Theory of Effective $\pi$-Electron
{Hamiltonians}",
journal = j-IJQC,
volume = "??",
number = "??",
pages = "??--??",
month = "??",
year = "1975",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 03 19:11:08 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Bartlett:1975:SAD,
author = "R. J. Bartlett and D. M. Silver",
title = "Some Aspects of Diagrammatic Perturbation Theory",
journal = j-IJQC,
volume = "S9",
number = "??",
pages = "183--198",
month = "??",
year = "1975",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 03 19:03:05 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Brandas:1975:DRS,
author = "E. Br{\"a}ndas and M. Hehenberger and H. V. McIntosh",
title = "Dispersion Relations and Spectral Densities",
journal = j-IJQC,
volume = "9",
number = "??",
pages = "103--117",
month = "??",
year = "1975",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 03 19:09:31 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Thulstrup:1975:SIF,
author = "P. W. Thulstrup",
title = "Smooth Interpolation, {Fourier} Transformation, and
Two-Center Overlap Integrals For Numerical Atomic
Orbitals",
journal = j-IJQC,
volume = "9",
number = "??",
pages = "789--795",
month = "??",
year = "1975",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:29 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Popkie:1976:MCM,
author = "H. E. Popkie and J. J. Kaufman",
title = "Molecular Calculations with the {MODPOT}, {VRDO}, and
{MODPOT\slash VRDO} Procedures {I}. {HF}, {F$_2$},
{HCl}, {Cl$_2$}, Formamide, Pyrrole, Pyridine, and
Nitrobenzene",
journal = j-IJQC,
volume = "S10",
number = "??",
pages = "47--57",
month = "??",
year = "1976",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:28 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kashiwagi:1976:IAB,
author = "H. Kashiwagi",
title = "Integral Approximations on the Basis of
Semiorthogonalized Orbitals",
journal = j-IJQC,
volume = "10",
number = "??",
pages = "135--141",
month = "??",
year = "1976",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:28 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Beebe:1976:SFS,
author = "Nelson H. F. Beebe",
title = "On the Symmetry of Filled Shells",
journal = j-IJQC,
volume = "10",
pages = "1007--1010",
year = "1976",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 18:56:37 1996",
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https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Popkie:1977:MCM,
author = "H. E. Popkie and J. J. Kaufman",
title = "Molecular Calculations with the {MODPOT}, {VRDO} and
{MODPOT}/{VRDO} Procedures. {IV}. Boron Hydrides and
Carboranes",
journal = j-IJQC,
volume = "??",
number = "??",
pages = "??--??",
month = "??",
year = "1977",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:28 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Oddershede:1977:DEE,
author = "Jens Oddershede and Poul J{\o{}}rgensen and Nelson H.
F. Beebe",
title = "Determination of Excitation Energies and Transition
Moments in a Second Order Polarization Propagator
Approach. Application to the {$Be$} Atom and the
{$CH^+$} Molecule",
journal = j-IJQC,
volume = "12",
pages = "655--670",
year = "1977",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 03 18:56:46 1996",
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https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Beebe:1977:STE,
author = "Nelson H. F. Beebe and Jan Linderberg",
title = "Simplifications in the Two-Electron Integral Array in
Molecular Calculations",
journal = j-IJQC,
volume = "12",
number = "4",
pages = "683--705",
month = oct,
year = "1977",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560120408",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 18:56:57 1996",
bibsource = "https://www.math.utah.edu/pub/bibnet/authors/b/beebe.bib;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ohrn:1978:CCG,
author = "Y. {\"O}hrn and J. Linderberg",
title = "Characteristics of the Consistent Ground State of the
Random Phase of Approximation",
journal = j-IJQC,
volume = "??",
number = "??",
pages = "1--18",
month = "??",
year = "1978",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:28 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Thulstrup:1979:BCI,
author = "P. W. Thulstrup and J. Linderberg",
title = "Bounds to {Coulomb} Interaction Integrals",
journal = j-IJQC,
volume = "S13",
number = "??",
pages = "39--50",
month = "??",
year = "1979",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:29 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Avery:1979:TIDa,
author = "J. Avery",
title = "Transferable Integrals in a Deformation Density
Approach to Crystal Orbital Calculations. {III}",
journal = j-IJQC,
volume = "S13",
number = "??",
pages = "403--412",
month = "??",
year = "1979",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 03 18:58:46 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Halkjaer:1979:PCN,
author = "O. Halkjaer and J. Linderberg",
title = "Potential Curves and Non-Adiabatic Coupling Matrix
Elements for the {O}$^+$--{Ne} system",
journal = j-IJQC,
volume = "S13",
number = "??",
pages = "475--484",
month = "??",
year = "1979",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:27 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Beebe:1979:MVO,
author = "Nelson H. F. Beebe",
title = "Modification of Virtual Orbitals",
journal = j-IJQC,
volume = "15",
pages = "589--600",
year = "1979",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 18:57:05 1996",
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https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Avery:1979:TIDb,
author = "J. Avery",
title = "Transferable Integrals in a Deformation Density
Approach to Crystal Orbital Calculations. {I}",
journal = j-IJQC,
volume = "16",
number = "??",
pages = "1265--1277",
month = "??",
year = "1979",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 03 18:58:46 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Avery:1979:TIDd,
author = "J. Avery",
title = "Transferable Integrals in a Deformation Density
Approach to Crystal Orbital Calculations. {II}",
journal = j-IJQC,
volume = "16",
number = "??",
pages = "1279--1299",
month = "??",
year = "1979",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 03 18:58:46 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Avery:1980:TID,
author = "J. Avery",
title = "Transferable Integrals in a Deformation Density
Approach to Crystal Orbital Calculations. {IV}",
journal = j-IJQC,
volume = "??",
number = "??",
pages = "??--??",
month = "??",
year = "1980",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 03 18:58:46 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Linderberg:1981:ARR,
author = "J. Linderberg",
title = "Algebraic Reduction of the Real Symmetric $4 \times 4$
Secular Problem",
journal = j-IJQC,
volume = "19",
number = "??",
pages = "237--249",
month = "??",
year = "1981",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 19:30:28 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Cizek:1990:EAF,
author = "J. Cizek and F. Vinette and J. Paldus",
title = "Explicit algebraic form of coupled cluster equations
for the {PPP} model of benzene with an approximate
inclusion of triexcited clusters",
journal = j-IJQC,
volume = "38",
number = "6",
pages = "831--851",
month = dec,
year = "1990",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Sep 30 05:41:47 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
affiliation = "Dept. of Appl. Math., Waterloo Univ., Ont., Canada",
classification = "A3120P (Other semi-empirical calculations (Huckel,
generalized Huckel, PPP methods, etc.)); A3120T
(Electron correlation and CI calculations); A3640
(Atomic and molecular clusters)",
keywords = "Benzene; CI description; Coupled cluster approach;
Coupled cluster equations; Diagrammatic techniques;
Electron correlation; MAPLE; Model Hamiltonians;
Molecular electronic structure; Molecular properties;
Nonorthogonal versions; Orthogonal versions; PPP model;
Quantum mechanical description; Symbolic computation
language; Triexcited clusters; TROFF; Typesetting
language",
thesaurus = "Cluster approximation; Molecular clusters; Molecular
electron correlations; Molecular electronic states;
Organic compounds; PPP calculations",
}
@Article{Homeier:1991:IQM,
author = "Herbert H. H. Homeier and E. Otto Steinborn",
title = "Improved Quadrature Methods for Three-Center Nuclear
Attraction Integrals with Exponential-Type Basis
Functions",
journal = j-IJQC,
volume = "39",
number = "4",
pages = "625--645",
month = apr,
year = "1991",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Thu Feb 11 07:21:14 1999",
bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/homeier-herbert-h-h.bib;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
}
@Article{Homeier:1992:IQM,
author = "Herbert H. H. Homeier and E. Otto Steinborn",
title = "Improved Quadrature Methods for the {Fourier}
Transform of a Two-Center Product of Exponential-Type
Basis Functions",
journal = j-IJQC,
volume = "41",
number = "3",
pages = "399--411",
day = "5",
month = feb,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Thu Feb 11 07:21:14 1999",
bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/homeier-herbert-h-h.bib;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
}
@Article{Jones:1992:LAF,
author = "H. W. Jones",
title = "{L{\"o}wdin} alpha-function, overlap integral, and
computer algebra",
journal = j-IJQC,
volume = "41",
number = "5",
pages = "749--754",
month = mar,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Sep 30 05:36:13 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
affiliation = "Dept. of Phys., Florida A and M Univ., Tallahassee,
FL, USA",
classification = "A0230 (Function theory, analysis); A3115 (General
mathematical and computational developments); A3120
(Specific calculations and results); C7310
(Mathematics); C7320 (Physics and Chemistry)",
keywords = "L{\"o}wdin alpha-function; Overlap integral; Computer
algebra; Mathematica; C matrix; Slater-type orbitals;
Two-center overlap integral; FORTRAN; Multicenter
molecular integrals",
thesaurus = "Integration; Physics computing; STO calculations;
Symbol manipulation",
}
@Article{Clarkson:1992:LTS,
author = "M. E. Clarkson and H. O. Pritchard",
title = "A {Laplace} transform solution of {Schr{\"o}dinger}'s
equation using symbolic algebra",
journal = j-IJQC,
volume = "41",
number = "6",
pages = "829--844",
month = mar,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Sep 30 05:36:13 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
affiliation = "Centre for Res. in Earth and Space Sci., York Univ.,
North York, Ont., Canada",
classification = "A0210 (Algebra, set theory, and graph theory); A0230
(Function theory, analysis); A0365G (Solutions of wave
equations: bound state)",
keywords = "Closed-form solution; Eigenvalues; Hill's method;
Laplace transform; MACSYMA; Mathieu's equation;
One-dimensional time-independent Schr{\"o}dinger
equation; Potential function; Symbolic algebra",
thesaurus = "Algebra; Laplace transforms; Schr{\"o}dinger
equation",
}
@Article{Homeier:1992:EOI,
author = "Herbert H. H. Homeier and E. Otto Steinborn",
title = "On the Evaluation of Overlap Integrals with
Exponential-type Basis Functions",
journal = j-IJQC,
volume = "42",
number = "4",
pages = "761--778",
day = "20",
month = may,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Thu Feb 11 07:21:14 1999",
bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/homeier-herbert-h-h.bib;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
}
@Article{Vinette:1992:QSD,
author = "F. Vinette",
title = "Quasispin symmetry for the derivation of coupled
cluster equations for the {Hubbard} model of benzene",
journal = j-IJQC,
volume = "42",
number = "6",
pages = "1737--1746",
month = jun,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Sep 30 05:36:13 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
affiliation = "Dept. of Math. and Stat., York Univ., North York,
Ont., Canada",
classification = "A3120P (Other semi-empirical calculations (Huckel,
generalized Huckel, PPP methods, etc.))",
keywords = "Benzene; CI matrix; Coupled cluster equations;
Explicit algebraic form; Hubbard model; MAPLE;
Molecule; Pariser--Parr--Pople model; Quasispin
symmetry; Symbolic computation language; Triexcited
clusters",
thesaurus = "Hubbard model; Organic compounds; PPP calculations",
}
@Article{Perevozchikov:1992:CTM,
author = "V. I. Perevozchikov and I. V. Maslov and A. W.
Niukkanen and Herbert H. H. Homeier and E. Otto
Steinborn",
title = "On the Combination of Two Methods for the Calculation
of Multicenter Integrals Using {STO} and {B} Function
Basis Sets",
journal = j-IJQC,
volume = "44",
number = "1",
pages = "45--57",
day = "20",
month = aug,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/homeier-herbert-h-h.bib;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
}
@Article{Murray:1992:AME,
author = "J. S. Murray and J. M. Seminario and M. C. Concha and
P. Politzer",
title = "An Analysis of Molecular Electrostatic Potentials
Obtained by a Local Density Functional Approach",
journal = j-IJQC,
volume = "44",
number = "2",
pages = "113--??",
day = "5",
month = sep,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Zhan:1992:MOS,
author = "C.-G. Zhan",
title = "Maximum Overlap Symmetry Molecular Orbital Model",
journal = j-IJQC,
volume = "44",
number = "2",
pages = "123--??",
day = "5",
month = sep,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Shelver:1992:MCB,
author = "W. L. Shelver and H. Rosenberg and W. H. Shelver",
title = "Molecular Conformation of Bilirubin from Semiempirical
Molecular Orbital Calculations",
journal = j-IJQC,
volume = "44",
number = "2",
pages = "141--??",
day = "5",
month = sep,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Reggio:1992:SPW,
author = "P. H. Reggio",
title = "A Search for Properties Which Produce Discrimination
Between Cannabinoid Psychoactivity and Analgesic
Activity",
journal = j-IJQC,
volume = "44",
number = "2",
pages = "165--??",
day = "5",
month = sep,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Hariharan:1992:CSI,
author = "S. Hariharan and W. H. Shelver",
title = "Conformational Studies of ({S})Idazoxan and
({S})Methoxyidazoxan Using {am7} and {pm3}
Semiempirical Molecular Orbital Methods",
journal = j-IJQC,
volume = "44",
number = "2",
pages = "181--??",
day = "5",
month = sep,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Alkorta:1992:QMP,
author = "I. Alkorta and H. O. Villar",
title = "Quantum Mechanical Parametrization of a
Conformationally Dependent Hydrophobic Index",
journal = j-IJQC,
volume = "44",
number = "2",
pages = "203--??",
day = "5",
month = sep,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Richards:1992:EMC,
author = "N. G. J. Richards and P. B. Williams and M. S. Tute",
title = "Empirical Methods for Computing Molecular Partition
Coefficients: {II}. Inclusion of Comformational
Flexibility within Fragment-Based Approaches",
journal = j-IJQC,
volume = "44",
number = "2",
pages = "219--??",
day = "5",
month = sep,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Cometta-Morini:1992:SER,
author = "C. Cometta-Morini and G. H. Loew",
title = "Structural and Electronic Requirements for Binding at
the Mu-Opioid Receptor",
journal = j-IJQC,
volume = "44",
number = "2",
pages = "235--??",
day = "5",
month = sep,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Du:1992:RAL,
author = "P. Du and G. H. Loew",
title = "Role of Axial Ligand in the Electronic Structure of
Model Compound {I} Complexes",
journal = j-IJQC,
volume = "44",
number = "2",
pages = "251--??",
day = "5",
month = sep,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Perez:1992:CSM,
author = "J. J. Perez and G. H. Loew and H. O. Villar",
title = "Conformational Study of Met-Enkephalin in Its
Zwitterionic Form",
journal = j-IJQC,
volume = "44",
number = "2",
pages = "263--??",
day = "5",
month = sep,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Judson:1992:DIC,
author = "R. S. Judson and M. E. Colvin and J. C. Meza and A.
Huffer and D. Gutierrez",
title = "Do Intelligent Configuration Search Techniques
Outperform Random Search for Large Molecules?",
journal = j-IJQC,
volume = "44",
number = "2",
pages = "277--??",
day = "5",
month = sep,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Solmajer:1992:MSE,
author = "T. Solmajer and E. L. Mehler",
title = "Modeling Solvent Effects in Molecular Dynamics
Simulations of Proteins",
journal = j-IJQC,
volume = "44",
number = "2",
pages = "291--??",
day = "5",
month = sep,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Leszczynski:1992:BSA,
author = "J. Leszczynski and R. H. Sullivan",
title = "Biuret and Its Sulfur Analogs: Structures and
Energies",
journal = j-IJQC,
volume = "44",
number = "2",
pages = "301--??",
day = "5",
month = sep,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Thu Jan 04 11:37:19 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Yuanqi:1992:IST,
author = "Tao Yuanqi and Duan Wengui",
title = "An Ab Initio Study of Tautomerism Between
Formhydroxamic Acid and Formhydroximic Acid",
journal = j-IJQC,
volume = "44",
number = "3",
pages = "319--??",
day = "30",
month = sep,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Jayasuriya:1992:SEP,
author = "K. Jayasuriya",
title = "Substituents Effects in Phospha Alkynes: {A}
Computational Investigation",
journal = j-IJQC,
volume = "44",
number = "3",
pages = "327--??",
day = "30",
month = sep,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Karafiloglou:1992:IPS,
author = "P. Karafiloglou and E. Sanchez Marcos",
title = "Investigating the Possibility of Simultaneously
Finding an Electron-Hole and an Electron-Pair in a
Molecule: Delocalization Competition of Ionic vs.
Covalent Character, and Related Effects in Push-Pull
Ethylenes",
journal = j-IJQC,
volume = "44",
number = "3",
pages = "337--??",
day = "30",
month = sep,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kakkar:1992:TST,
author = "R. Kakkar and V. Walia",
title = "Theoretical Study of the Thermal Unimolecular
Rearrangement of Fluoroethylidenes",
journal = j-IJQC,
volume = "44",
number = "3",
pages = "363--??",
day = "30",
month = sep,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Hamed:1992:MOT,
author = "M. M. Hamed and R. H. Abu-Eittah and Z. Mobark and M.
M. Abdou",
title = "A Molecular Orbital Treatment of the Electronic
Spectra of Some Tryptamines",
journal = j-IJQC,
volume = "44",
number = "3",
pages = "379--??",
day = "30",
month = sep,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kruglevsky:1992:EHD,
author = "V. Kruglevsky",
title = "Electronic {Hamiltonian} of Diatomic Molecules in the
Basis of Coupled Momenta Eigenfunctions",
journal = j-IJQC,
volume = "44",
number = "3",
pages = "393--??",
day = "30",
month = sep,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Homeier:1992:SDO,
author = "Herbert H. H. Homeier and E. Joachim Weniger and E.
Otto Steinborn",
title = "Simplified Derivation of a One-Range Addition Theorem
of the {Yukawa} Potential",
journal = j-IJQC,
volume = "44",
number = "3",
pages = "405--411",
day = "30",
month = sep,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Thu Feb 11 07:20:51 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1992:DMJ,
author = "Anonymous",
title = "{Dewar, Michael J. S.}",
journal = j-IJQC,
volume = "44",
number = "4",
pages = "419--??",
day = "15",
month = oct,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lowdin:1992:IPS,
author = "P. L{\"o}wdin and M. C. Zerner",
title = "Introduction to the Paper Symposium on Semiempirical
Methods in Quantum Chemistry and Solid-State Theory",
journal = j-IJQC,
volume = "44",
number = "4",
pages = "421--??",
day = "15",
month = oct,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Dewar:1992:SAC,
author = "M. J. S. Dewar",
title = "The Semiempirical Approach to Chemistry",
journal = j-IJQC,
volume = "44",
number = "4",
pages = "427--??",
day = "15",
month = oct,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Havlas:1992:MCV,
author = "Z. Havlas and S. Nick and H. Bock",
title = "{{\sc MNDO}} Calculations as a Valuable Tool for
Structure Evaluation of Contact Ion Pairs",
journal = j-IJQC,
volume = "44",
number = "4",
pages = "449--467",
day = "15",
month = oct,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Rzepa:1992:TSS,
author = "H. S. Rzepa and W. A. Wylie",
title = "Transition-State Structures for the Reaction Between
Styrene and $t$-Butyl Cyanoketine: Theoretical Evidence
for Antarafacial Characteristics in a $\pi^2 + \pi^2$
Thermal Cycloaddition",
journal = j-IJQC,
volume = "44",
number = "4",
pages = "469--476",
day = "15",
month = oct,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Hagfeldt:1992:SCR,
author = "A. Hagfeldt and H. Siegbahn and S.-E. Lindquist and S.
Lunell",
title = "Semiempirical Calculations of {${\rm TiO}_2$} (Rutile)
Clusters",
journal = j-IJQC,
volume = "44",
number = "4",
pages = "477--495",
day = "15",
month = oct,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Jug:1992:CPS,
author = "K. Jug and M. Krack",
title = "Consistent Parametrization of Semiempirical {{\sc MO}}
Methods",
journal = j-IJQC,
volume = "44",
number = "4",
pages = "517--531",
day = "15",
month = oct,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Godin:1992:CMT,
author = "T. J. Godin and J. P. LaFemina",
title = "Comparison of {{\sc MNDO}} to Tight-Binding, Total
Energy Methods for Surface Atomic Structure
Determination: Aluminum Phosphide $(110)$",
journal = j-IJQC,
volume = "44",
number = "4",
pages = "533--542",
day = "15",
month = oct,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Jan 05 06:17:39 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Wall:1992:PCA,
author = "C. G. Wall and E. F. Healy and M. A. Fox",
title = "Peptide Conformational Analysis Using the {TRIPOS}
Force Field",
journal = j-IJQC,
volume = "44",
number = "4",
pages = "543--??",
day = "15",
month = oct,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Wu:1992:SSM,
author = "C. S. Wu and L. J. Myers and S. D. Worley",
title = "A Semiempirical {{\sc SCF MO}} Study of the
Interaction of Odorant Molecules with a Biological
Substrate",
journal = j-IJQC,
volume = "44",
number = "4",
pages = "549--563",
day = "15",
month = oct,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Filatov:1992:NMN,
author = "M. J. Filatov and I. L. Zilberberg and G. M.
Zhidomirov",
title = "{{\sc NDDO\slash MC}}: {A} New Semiempirical {{\sc SCF
MO}} Method for Transition Metal Complexes",
journal = j-IJQC,
volume = "44",
number = "4",
pages = "565--585",
day = "15",
month = oct,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ford:1992:PCCa,
author = "G. P. Ford and B. Wang",
title = "Prototropic Changes in Cationic Base-Pair Adducts. {I}
Guanine Protonation",
journal = j-IJQC,
volume = "44",
number = "4",
pages = "587--??",
day = "15",
month = oct,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ford:1992:PCCb,
author = "G. P. Ford and B. Wang",
title = "Prototropic Changes in Cationic {Base-Pair} Adducts.
{II}. Guanine Methylation",
journal = j-IJQC,
volume = "44",
number = "4",
pages = "605--??",
day = "15",
month = oct,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Bockisch:1992:SAL,
author = "F. Bockisch and D. Liotard and J.-C. Rayez and B.
Duguay",
title = "Simulated Annealing to Locate Various Stationary
Points in Semiempirical Methods",
journal = j-IJQC,
volume = "44",
number = "4",
pages = "619--??",
day = "15",
month = oct,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kanzler:1992:SIT,
author = "A. W. Kanzler and K. F. Freed and M. G. Sheppard",
title = "Spin-Independent Three-Body Effective Valence-Shell
Operators: Application to Molecular Oxygen",
journal = j-IJQC,
volume = "44",
number = "4",
pages = "643--??",
day = "15",
month = oct,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Shivaglal:1992:EHB,
author = "M. C. Shivaglal and S. Singh",
title = "Effect of Hydrogen Bonding and Cooperativity on
Stretching Force Constants of Formamide",
journal = j-IJQC,
volume = "44",
number = "5",
pages = "679--??",
day = "5",
month = nov,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Davis:1992:NPB,
author = "L. P. Davis and L. W. Burggraf and M. S. Gordon",
title = "Novel Pentacoordinated Bridged Silicon Anions",
journal = j-IJQC,
volume = "44",
number = "5",
pages = "691--??",
day = "5",
month = nov,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ventura:1992:SSR,
author = "O. N. Ventura and M. L. Cubas",
title = "A Semiempirical Study of the Reaction of the
Hemimercaptal of Methylglyoxal and Glutathione at the
Active Center of Glyoxalase {I}",
journal = j-IJQC,
volume = "44",
number = "5",
pages = "699--??",
day = "5",
month = nov,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Liotard:1992:ATS,
author = "D. A. Liotard",
title = "Algorithmic Tools in the Study of Semiempirical
Potential Surfaces",
journal = j-IJQC,
volume = "44",
number = "5",
pages = "723--??",
day = "5",
month = nov,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Neto:1992:ISA,
author = "J. D. Da Motta Neto and M. C. Zerner and R. Bicca De
Alencastro",
title = "On the Implications of the Structure of
3prime-Azido-3prime-deoxythymidine and Related
Compounds to Antiviral Activity",
journal = j-IJQC,
volume = "44",
number = "5",
pages = "743--??",
day = "5",
month = nov,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Pierini:1992:ASC,
author = "A. B. Pierini and G. L. Borosky and M. T.
Baumgartner",
title = "An {am1} Study of the Coupling Reaction of Radicals
with the Acetone Enolate Ion and Some Related
Nucleophiles",
journal = j-IJQC,
volume = "44",
number = "5",
pages = "759--??",
day = "5",
month = nov,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lu:1992:SCM,
author = "Y.-L. Lu and S.-L. Lee",
title = "Semiempirical Calculations of Molecular
Polarizabilities and Hyperpolarizabilities of
Polycyclic Aromatic Compounds",
journal = j-IJQC,
volume = "44",
number = "5",
pages = "773--??",
day = "5",
month = nov,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lahti:1992:SII,
author = "P. M. Lahti",
title = "A Semiempirical Investigation of Interelectronic
Exchange Coupling in Bisected Poly(1,4-phenylene)
Polycation Model Systems",
journal = j-IJQC,
volume = "44",
number = "5",
pages = "785--??",
day = "5",
month = nov,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Bodor:1992:IBR,
author = "N. Bodor and L. Prokai",
title = "Intermediates of the Borane Reduction of Some
Imidazolidines: An {am1} Study",
journal = j-IJQC,
volume = "44",
number = "5",
pages = "795--??",
day = "5",
month = nov,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Thiel:1992:EMO,
author = "W. Thiel and A. A. Voityuk",
title = "Extension of {MNDO} to $d$ Orbitals: Parameters and
Results for the Halogens",
journal = j-IJQC,
volume = "44",
number = "5",
pages = "807--??",
day = "5",
month = nov,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Roszak:1992:MAV,
author = "S. Roszak and J. Lipinski",
title = "The Modified All-Valence {INDO} Method with the
Inclusion of Spin-Orbit Coupling",
journal = j-IJQC,
volume = "44",
number = "5",
pages = "831--??",
day = "5",
month = nov,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Braga:1992:CLR,
author = "M. Braga and S. Larsson",
title = "Calculation of the Long-Range Coupling Between
Electrons in Lone Pairs and Double Bonds Using
Semiempirical and Ab Initio Methods",
journal = j-IJQC,
volume = "44",
number = "5",
pages = "839--??",
day = "5",
month = nov,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Jahns:1992:AIL,
author = "V. Jahns and S. Kostlmeier and M. Kotzian and N. Rosch
and P. L. Watson",
title = "On the Agostic Interaction in Lanthanide Phenylene
Complexes: An {INDO} Study of
{[(Cp$^*$over$_2$M)$_2$C$_6$H$_4$](M = Sc, Lu)}
Employing an Energy-Partitioning Analysis",
journal = j-IJQC,
volume = "44",
number = "5",
pages = "853--??",
day = "5",
month = nov,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Dannenberg:1992:CEH,
author = "J. J. Dannenberg and E. M. Evleth",
title = "A Critical Examination of {H}-Bonding Interactions
Calculated Using the {am1} Molecular Orbital Method",
journal = j-IJQC,
volume = "44",
number = "5",
pages = "869--??",
day = "5",
month = nov,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Sola:1992:VBC,
author = "M. Sola and M. Balcells and M. Duran and A. Lledos and
J. Bertran",
title = "Valence-Bond Calculations on {ZnO} and {HgO} Using
Integrals Computed through the Semiempirical {am1}
Method",
journal = j-IJQC,
volume = "44",
number = "5",
pages = "887--??",
day = "5",
month = nov,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Vasilyev:1992:CQC,
author = "V. V. Vasilyev and A. A. Bliznyuk and A. A. Voityuk",
title = "A Combined Quantum Chemical\slash Molecular Mechanical
Study of Hydrogen-Bonded Systems",
journal = j-IJQC,
volume = "44",
number = "5",
pages = "897--??",
day = "5",
month = nov,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Sadykova:1992:MSS,
author = "A. Yu. Sadykova and A. S. Saykaeva and A. V. Kostochko
and A. N. Glebov and V. G. Moozyukov",
title = "Magnetic Susceptibility of Some Derivatives of
Cellulose and Their Mixtures: Theory and Experiment",
journal = j-IJQC,
volume = "44",
number = "6",
pages = "935--??",
day = "5",
month = dec,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Yamamoto:1992:BSS,
author = "S. Yamamoto and M.-A. Ozaki",
title = "Broken Symmetry Solutions of the Two-Dimensional
Extended {Hubbard} Model and Their Instability
Conditions",
journal = j-IJQC,
volume = "44",
number = "6",
pages = "949--??",
day = "5",
month = dec,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Thakkar:1992:CSC,
author = "A. J. Thakkar and T. Koga and H. Matsuyama and E. F.
Archibong",
title = "Constrained Self-Consistent-Field Wave Functions with
Improved Long-Range Behavior",
journal = j-IJQC,
volume = "44",
number = "6",
pages = "985--??",
day = "5",
month = dec,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Zou:1992:REM,
author = "P. F. Zou",
title = "A Regional Embedding Method",
journal = j-IJQC,
volume = "44",
number = "6",
pages = "997--??",
day = "5",
month = dec,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Chen:1992:ESK,
author = "T. L. Chen and J. Ji and S. X. Xiao and T. X. Cai and
G. S. Yan",
title = "The Electronic Structure of {Keggin} Anion {$({\rm
PW}_{12}{\rm O}_{40})^{3-}$} and Catalytic Properties",
journal = j-IJQC,
volume = "44",
number = "6",
pages = "1015--??",
day = "5",
month = dec,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Korchowiec:1992:GEF,
author = "J. Korchowiec and R. F. Nalewajski",
title = "Group Electronegativity and {Fukui} Function Studies
of the Substituent Effects in Aromatic and Inorganic
Systems",
journal = j-IJQC,
volume = "44",
number = "6",
pages = "1027--??",
day = "5",
month = dec,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat May 17 18:01:06 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Samuel:1992:SPI,
author = "J. Samuel and K. D. Sen",
title = "Static Polarizabilities for the {Ne-Isoelectronic}
Series Using {Harbola--Sahni} Potential",
journal = j-IJQC,
volume = "44",
number = "6",
pages = "1041--??",
day = "5",
month = dec,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Mogensen:1992:AVO,
author = "B. J. Mogensen and S. Rettrup",
title = "Average Virtual Orbitals in Configuration Interaction
Studies with Application to the Low-Lying Singlet
States of the Carbon Monoxide and Acetone Molecules",
journal = j-IJQC,
volume = "44",
number = "6",
pages = "1045--??",
day = "5",
month = dec,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Hargittai:1992:ECB,
author = "M. Hargittai and I. Hargittai",
title = "Experimental and Computed Bond Lengths: The Importance
of Their Differences",
journal = j-IJQC,
volume = "44",
number = "6",
pages = "1057--??",
day = "5",
month = dec,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Jorgensen:1992:BRB,
author = "Poul J{\o}rgensen",
title = "Book Review: {{\booktitle{Review of algebraic and
diagrammatic methods in many-fermion theory}}. By Frank
E. Harris, Hendrik J. Monkhorst, and David L. Freeman,
Oxford University Press, Inc., New York, 1992}",
journal = j-IJQC,
volume = "44",
number = "6",
pages = "1069--1069",
day = "5",
month = dec,
year = "1992",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560440611",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 4 06:58:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
https://www.math.utah.edu/pub/tex/bib/ijqc1990.bib",
note = "See \cite{}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
onlinedate = "19 Oct 2004",
}
@Article{Lowdin:1993:Ea,
author = "P.-O. L{\"o}wdin",
title = "Editorial",
journal = j-IJQC,
volume = "45",
number = "1",
pages = "1--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Li:1993:CAF,
author = "Y. Li and X. Dong and S. Pan",
title = "Computation of Auxiliary Functions in {STO} Molecular
Integrals up to Arbitrary Accuracy. {I}. Evaluation of
Incomplete Gamma Function {E}$_n$({X}) by Forward
Recursion",
journal = j-IJQC,
volume = "45",
number = "1",
pages = "3--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Habibollahzadeh:1993:XNR,
author = "D. Habibollahzadeh and J. S. Murray and M. E. Grice
and P. Politzer",
title = "{X-NO$_2$} Rotational Energy Barriers: Local Density
Functional Calculations",
journal = j-IJQC,
volume = "45",
number = "1",
pages = "15--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Jones:1993:BVT,
author = "H. W. Jones",
title = "Benchmark values for two-center {Coulomb} integrals
over {Slater-type} orbitals",
journal = j-IJQC,
volume = "45",
number = "1",
pages = "21--30",
month = "",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Sep 30 05:31:18 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
affiliation = "Dept. of Phys., Florida A and M Univ., Tallahassee,
FL, USA",
classification = "A3115 (General mathematical and computational
developments); A3120 (Specific calculations and
results)",
keywords = "Two-center Coulomb integrals; Slater-type orbitals;
L{\"o}wdin alpha-function method; Displaced orbitals;
Infinite series; Spherical harmonics; Computer algebra
program; Mathematica; C matrix; Integer elements;
Multicenter molecular integrals; Two-electron Coulomb
repulsion integral; Precision; Cancellation errors",
thesaurus = "STO calculations",
}
@Article{Sellers:1993:CDC,
author = "H. Sellers",
title = "The {C$^2$-DIIS} Convergence Acceleration Algorithm",
journal = j-IJQC,
volume = "45",
number = "1",
pages = "31--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lino:1993:PGU,
author = "A. T. Lino and N. Meskini and H. W. L. Alves and K.
Kunc",
title = "{TO$(\Gamma)$} Phonons in {GaAs} Under Uniaxial
Strain",
journal = j-IJQC,
volume = "45",
number = "1",
pages = "43--49",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Cai:1993:ISL,
author = "Z.-L. Cai and Y.-F. Wang and H.-M. Xiao",
title = "An Initio Study of Low-Lying Electronic States of the
{FNO$_2$} Molecule",
journal = j-IJQC,
volume = "45",
number = "1",
pages = "51--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Hartke:1993:MTS,
author = "B. Hartke and D. A. Gibson and E. A. Carter",
title = "Multiple Time Scale {Hartree--Fock} Molecular
Dynamics",
journal = j-IJQC,
volume = "45",
number = "1",
pages = "59--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Titov:1993:VPT,
author = "A. V. Titov",
title = "Variational Principle for Transition Matrix",
journal = j-IJQC,
volume = "45",
number = "1",
pages = "71--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{H:1993:HCL,
author = "{Kleindienst, H. } and A. Luchow",
title = "{Hylleraas-CI} with Linked Correlation Terms",
journal = j-IJQC,
volume = "45",
number = "1",
pages = "87--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Shinoda:1993:ACH,
author = "H. Shinoda and M. Sayama and M. A. Mori and H.
Kozuka",
title = "{AM1} Calculation of Hydration to Aldehyde Group in
Nitro-Substituted Benzaldehydes",
journal = j-IJQC,
volume = "45",
number = "1",
pages = "97--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Brzeska:1993:CPF,
author = "D. Brzeska and S. Olszewski",
title = "Closure Property for Free Electrons",
journal = j-IJQC,
volume = "45",
number = "1",
pages = "105--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Schuch:1993:ANS,
author = "D. Schuch",
title = "On the Applicability of a Nonlinear {Schr{\"o}dinger}
Equation to the Determination of Rate Constants in
{Kramers}' Theory of Chemical Reactions",
journal = j-IJQC,
volume = "45",
number = "3",
pages = "235--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Chandra:1993:PES,
author = "A. K. Chandra and K. Bhattacharyya",
title = "Perturbation Expansions, {Symanzik} Scaling, and
{Pad{\'e}-Type} Approximants: The Anharmonic Oscillator
Problem",
journal = j-IJQC,
volume = "45",
number = "3",
pages = "251--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Harriman:1993:HRS,
author = "J. E. Harriman and M. E. Casida",
title = "Husimi Representation for Stationary States",
journal = j-IJQC,
volume = "45",
number = "3",
pages = "263--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Cai:1993:MSF,
author = "Z.-L. Cai",
title = "The {MRSDCI} Studies of Four Low-Lying Electronic
States of the {BF$_2$} Radical",
journal = j-IJQC,
volume = "45",
number = "3",
pages = "295--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Hall:1993:EDA,
author = "G. G. Hall and S. Arimoto",
title = "Eigenvalue Distributions and Asymptotic Lines of the
Energy in Alternant Hydrocarbons",
journal = j-IJQC,
volume = "45",
number = "3",
pages = "303--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1993:GPEa,
author = "Anonymous",
title = "Guidelines for Preparing an Electronic Manuscript",
journal = j-IJQC,
volume = "45",
number = "3",
pages = "329--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Glossman:1993:NAE,
author = "M. D. Glossman and A. Rubio and L. C. Balbas and J. A.
Alonso and Ll Serra",
title = "Nonclonal Approximation to the Exchange and Kinetic
Energy Functionals: Application to Metallic Clusters",
journal = j-IJQC,
volume = "45",
number = "4",
pages = "333--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Bishop:1993:DQOa,
author = "D. M. Bishop and J. Pipin",
title = "Dipole, Quadrupole, Octupole, and Dipole-Octupole
Polarizabilities at Real and Imaginary Frequencies for
{H}, He, and {H}$_2$ and the Dispersion-Energy
Coefficients for Interactions Between Them",
journal = j-IJQC,
volume = "45",
number = "4",
pages = "349--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Plakhutin:1993:CCS,
author = "B. N. Plakhutin and A. V. Arbuznikov and A. B.
Trofimov",
title = "Coupling Coefficients for Systems with Two Open
Electronic Shells: Transition Metal Ions with
{p$^M$d$^N$} Configuration",
journal = j-IJQC,
volume = "45",
number = "4",
pages = "363--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Deng:1993:SAM,
author = "C. Deng and R. Zhang and D. Feng",
title = "Solution of Atomic and Molecular {Schr{\"o}dinger}
Equation Described by Hyperspherical Coordinates",
journal = j-IJQC,
volume = "45",
number = "4",
pages = "385--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Yoshizawa:1993:UHF,
author = "K. Yoshizawa and A. Ito and K. Tanaka and T. Yamabe",
title = "Unrestricted {Hartee--Fock} Method for Infinite
Systems with Antiferromagnetic Array: Analysis of
Antiferromagnetic State of trans-Polyacetylene",
journal = j-IJQC,
volume = "45",
number = "4",
pages = "391--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Stanton:1993:AMB,
author = "J. F. Stanton",
title = "Applied Many-Body Methods in Spectroscopy and
Electronic Structure. Edited by {D. Mukherjee}",
journal = j-IJQC,
volume = "45",
number = "4",
pages = "401--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Eriksson:1993:TCM,
author = "L. Eriksson",
title = "Theoretical and Computational Models for Organic
Chemistry Edited by {S. J. Formosinho}, {I. G.
Csizmadia}, and {L. G. Arnaut}",
journal = j-IJQC,
volume = "45",
number = "4",
pages = "403--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1993:GPEb,
author = "Anonymous",
title = "Guidelines for Preparing an Electronic Manuscript",
journal = j-IJQC,
volume = "45",
number = "4",
pages = "405--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Moszynski:1993:MPE,
author = "R. Moszynski and B. Jeziorski and K. Szalewicz",
title = "{M{\o}ller--Plesset} Expansion of the Dispersion
Energy in the Ring Approximation",
journal = j-IJQC,
volume = "45",
number = "5",
pages = "409--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Andres:1993:TSE,
author = "J. Andr{\'e}s and V. Moliner and J. Krechl and E.
Silla",
title = "A Theoretical Study of the Effect of Basis Sets on
Stationary Structures for the Addition of Carbon
Dioxide to Methylamine: {A} Relation Among Geometries,
Energy Status, and Electronic Structures",
journal = j-IJQC,
volume = "45",
number = "5",
pages = "433--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Luchow:1993:AIC,
author = "A. Luchow and H. Kleindienst",
title = "Atomic Integrals Containing
$r^\lambda_23r^\mu_13r^\nu_12$ with $\lambda, \mu, \nu
> -2$",
journal = j-IJQC,
volume = "45",
number = "5",
pages = "445--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ischtwan:1993:GAE,
author = "J. Ischtwan and S. D. Peyerimhoff",
title = "General Algebraic Expressions of Totally Symmetric
Potential Functions for {AX$_n$} (n = 3,4) Molecules",
journal = j-IJQC,
volume = "45",
number = "5",
pages = "471--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Andre:1993:ECG,
author = "J. Andr{\'e}",
title = "Enrico Clementi: Gradus ad Parnassum",
journal = j-IJQC,
volume = "45",
number = "6",
pages = "507--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Clementi:1993:TSO,
author = "E. Clementi and G. Corongiu and D. Estrin and E.
Hollauer and O. G. Stradella",
title = "Time Scales and Other Problems in Linking Simulations
of Simple Chemical Systems to More Complex Ones",
journal = j-IJQC,
volume = "45",
number = "6",
pages = "511--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Homeier:1993:SAN,
author = "H. H. H. Homeier",
title = "Some Applications of Nonlinear Convergence
Accelerators",
journal = j-IJQC,
volume = "45",
number = "6",
pages = "545--562",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Flores:1993:ASO,
author = "J. R. Flores and P. Redondo",
title = "Accurate Second-Order Correlation Energies for {Mg}
and {Ar}",
journal = j-IJQC,
volume = "45",
number = "6",
pages = "563--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Avery:1993:CRQ,
author = "J. Avery and F. Antonsen and I. Shim",
title = "{4-Currents} in Relativistic Quantum Chemistry",
journal = j-IJQC,
volume = "45",
number = "6",
pages = "573--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Broer:1993:UCO,
author = "R. Broer",
title = "On the Use of Corresponding Orbitals for the
Construction of Mutually Orthogonal Orbital Sets",
journal = j-IJQC,
volume = "45",
number = "6",
pages = "587--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anderson:1993:MSO,
author = "K. Anderson and B. O. Roos",
title = "Multiconfigurational Second-Order Perturbation Theory:
{A} Test of Geometries and Binding Energies",
journal = j-IJQC,
volume = "45",
number = "6",
pages = "591--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Windt:1993:VIM,
author = "L. De Windt and M. Defranceschi and J. Delhalle",
title = "Variation-Iteration Method in Momentum Space:
Determination of {Hartree--Fock} Atomic Orbitals",
journal = j-IJQC,
volume = "45",
number = "6",
pages = "609--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Fischer:1993:LAO,
author = "P. Fischer and M. Defranceschi",
title = "Looking at Atomic Orbitals through {Fourier} and
Wavelet Transforms",
journal = j-IJQC,
volume = "45",
number = "6",
pages = "619--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Laloyaux:1993:RSE,
author = "Th. Laloyaux and J.-P. Vigneron and Ph. Lambin and I.
Derycke and A. A. Lucas",
title = "Resolution of {Schr{\"o}dinger}'s Equation for a
Scattering Problem by a Finite-Element Method",
journal = j-IJQC,
volume = "45",
number = "6",
pages = "637--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Fluekiger:1993:CSD,
author = "P. Fluekiger and J. Weber and R. Chiarelli and A.
Rassat and Y. Ellinger",
title = "Chirality and Spin Density: Ab Initio and Density
Functional Approaches",
journal = j-IJQC,
volume = "45",
number = "6",
pages = "649--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Vogel:1993:DSS,
author = "S. Vogel and J. Hutter and T. H. Fischer and H. P.
Luthi",
title = "Direct {SCF} Structure Optimization of Large Molecules
on Networks of Workstations",
journal = j-IJQC,
volume = "45",
number = "6",
pages = "665--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Vogel:1993:TOM,
author = "S. Vogel and T. H. Fischer and J. Hutter and H. P.
Luthi",
title = "Third-Order Methods for Molecular Geometry
Optimizations",
journal = j-IJQC,
volume = "45",
number = "6",
pages = "679--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kasha:1993:CCQ,
author = "M. Kasha and D. Parthenopoulos and B. Dellinger",
title = "Challenges to Computational Quantum Chemistry from
Contemporary Advances in Polyatomic Molecular
Electronic Spectroscopy",
journal = j-IJQC,
volume = "45",
number = "6",
pages = "689--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Bacchus-Montabonel:1993:TTE,
author = "M. C. Bacchus-Montabonel and K. Amezian",
title = "Theoretical Treatment of Electron Capture Processes
for Closed- and Open-Shell Systems",
journal = j-IJQC,
volume = "45",
number = "6",
pages = "709--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Mosley:1993:EAH,
author = "D. H. Mosley and B. T. Pickup",
title = "Electron Attachment to Homonuclear Diatomic
Molecules",
journal = j-IJQC,
volume = "45",
number = "6",
pages = "719--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Thu Jan 04 11:34:28 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Mathieu:1993:ISI,
author = "D. Mathieu and M. Defranceschi and J. Delhalle",
title = "Ab Initio Study of the Influence of Aggregation on the
Infrared Spectrum of Acetonitrile",
journal = j-IJQC,
volume = "45",
number = "6",
pages = "735--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Hermansson:1993:RBO,
author = "K. Hermansson",
title = "Redshifts and Blueshifts of {OH} Vibrations",
journal = j-IJQC,
volume = "45",
number = "6",
pages = "747--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Champagne:1993:IDP,
author = "B. Champagne and D. H. Mosley and J. G. Fripiat and J.
M. Andr{\'e}",
title = "Ab Initio Determination of Polarizabilities per
Subunit in Polymeric Systems Using the Polarization
Propagator: Application to Model Hydrogen Chains",
journal = j-IJQC,
volume = "46",
number = "1",
pages = "1--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Thu Jan 04 11:41:00 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Morley:1993:NOP,
author = "J. O. Morley",
title = "Nonlinear Optical Properties of Organic Molecules.
{XII}. Calculations of the Hyperpolarizabilities of
Donor-Acceptor Polyynes",
journal = j-IJQC,
volume = "46",
number = "1",
pages = "19--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Hedman:1993:DPL,
author = "F. Hedman and A. Laaksonen",
title = "Data Parallel Large-Scale Molecular Dynamics for
Liquids",
journal = j-IJQC,
volume = "46",
number = "1",
pages = "27--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Mareschal:1993:MSA,
author = "M. Mareschal and E. Kestemont and M. M. Mansour",
title = "The Molecular Simulation Approach to Complex
Hydrodynamics",
journal = j-IJQC,
volume = "46",
number = "1",
pages = "39--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Acrivos:1993:SWF,
author = "J. V. Acrivos and O. Stradella",
title = "{SCF} Wave Functions for {(CuO$_2$)$_n$} Lamella in
Crystal Field of {TprimesbondNd$_2$CuO$_4$}",
journal = j-IJQC,
volume = "46",
number = "1",
pages = "55--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Peeters:1993:ISC,
author = "A. Peeters and C. {Van Alsenoy} and A. T. H. Lenstra
and H. J. Geise",
title = "Ab Initio Studies of Crystal Field Effects. {VII}.
Structure of {2,3-Diketopiperazine} Using a 13-Molecule
Cluster, a Calculation Involving 1092 Basis Functions",
journal = j-IJQC,
volume = "46",
number = "1",
pages = "73--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Hutter:1993:SFN,
author = "J. Hutter and H. P. Luthi",
title = "The Structure of $n$-Fold Negatively Charged
{C}$_{60}$ $(n = 1,2,\ldots{},6)$",
journal = j-IJQC,
volume = "46",
number = "1",
pages = "81--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Bureau:1993:CSC,
author = "C. Bureau and M. Defranceschi and J. Delhalle",
title = "Cluster-Size Convergence of Some Physical Parameters
of Bare ({Ni}$_n$) and {CH$_3$-Chemisorbed}
({CH$_3$-Ni$_n$}) Nickel (111) Clusters: An Ab Initio
Study",
journal = j-IJQC,
volume = "46",
number = "1",
pages = "87--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lambin:1993:ESM,
author = "Ph. Lambin and P. Senet",
title = "{Ewald} Summation of Multipolar Interactions at an
Arbitrary Order on a Two-Dimensional Lattice",
journal = j-IJQC,
volume = "46",
number = "1",
pages = "101--107",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Apr 24 09:32:49 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Panas:1993:SSH,
author = "I. Panas",
title = "On the Solid State of Hydrogen Fluoride: {A}
Self-Consistent Crystal Field Study",
journal = j-IJQC,
volume = "46",
number = "1",
pages = "109--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Glukhovtsev:1993:MOC,
author = "M. N. Glukhovtsev and P. Von Rague Schleyer",
title = "The {N}$_4$ Molecule Has an Open-Chain Triplet
{C}$_2$h Structure",
journal = j-IJQC,
volume = "46",
number = "1",
pages = "119--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Thu Jan 04 11:38:58 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Dive:1993:PCE,
author = "G. Dive and D. Dehareng",
title = "Polarization Correction of the Electrostatic Potential
for Aromatic Compounds: Study of the Nucleophilic
Attack",
journal = j-IJQC,
volume = "46",
number = "1",
pages = "127--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Korkin:1993:PAA,
author = "A. Korkin and M. Glukhovtsev and P. Von Rague
Schleyer",
title = "Polysila Analogs of Aromatic Hydrocarbon Ions:
Structures and Energies of {Si$_3$H$_3$}$^+$,
{Si$_4$H$_4$}$^{2+}$, and {Si$_5$H$_5$}$^-$",
journal = j-IJQC,
volume = "46",
number = "1",
pages = "137--144",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Shim:1993:ESN,
author = "I. Shim and K. A. Gingerich",
title = "Electronic States and Nature of Bonding in the
Molecule {YN} by All-Electron Ab Initio {CASSCF}
Calculations",
journal = j-IJQC,
volume = "46",
number = "1",
pages = "145--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Mandix:1993:IIP,
author = "K. Mandix and A. Colding and K. Elming and L. Sunesen
and L. Shim",
title = "Ab Initio Investigation of Phloroglucinol",
journal = j-IJQC,
volume = "46",
number = "1",
pages = "159--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Fontaine:1993:PTS,
author = "M. Fontaine and J. Delhalle and M. Defranceschi and G.
Lecayon and J. Boissel",
title = "Preliminary Theoretical Study of Perfluorodimethyl
Ether and Its Protonated Form",
journal = j-IJQC,
volume = "46",
number = "1",
pages = "171--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Michel:1993:ISE,
author = "A. G. Michel and Y. Trudel and C. Dion",
title = "Ab Initio Study of the Electronic Properties of
Potential Antagonists of the Glycine Receptor: 1.
Transition State of the {2-Pyridone} {H$_2$O\slash}
{2-Hydroxypyridine} . {H$_2$O} Tautomeric Equilibrium",
journal = j-IJQC,
volume = "46",
number = "1",
pages = "183--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Gantchev:1993:SEM,
author = "T. G. Gantchev and F. Beaudry and J. E. {Van Lier}g and
A. G. Michel",
title = "Semi-empirical Molecular Orbital Studies of Porphine
and Phthalocyanine Derivatives, to Simulate Their
Intermolecular Interactions",
journal = j-IJQC,
volume = "46",
number = "1",
pages = "191--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Culot:1993:TEA,
author = "C. Culot and M. Dory and F. Durant and D. P.
Vercauteren",
title = "Theoretical Evaluation of Atomic Charges to be
Integrated into Conformational Analyses of Neutral
Lipids",
journal = j-IJQC,
volume = "46",
number = "1",
pages = "211--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Arnau:1993:IRC,
author = "A. Arnau and E. Silla and I. Tunon",
title = "Ab Initio Rotational Constants of Interstellar
Species: Cyanoacetylene Hydrogenated Derivatives",
journal = j-IJQC,
volume = "46",
number = "2",
pages = "231--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kong:1993:EAM,
author = "J. Kong and J.-M. Yan",
title = "The Effects of Atomic Multipole Moments Obtained by
the Potential-Derived Method on Hydrogen Bonding",
journal = j-IJQC,
volume = "46",
number = "2",
pages = "239--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Palting:1993:HOT,
author = "P. Palting",
title = "Harmonic Oscillator Tensors. {II}. Angular Momentum
Expressions of Matrix Elements of Vibrational
Operators",
journal = j-IJQC,
volume = "46",
number = "2",
pages = "257--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lagowski:1993:PMI,
author = "J. B. Lagowski and G. J. Vancso",
title = "Polystyrene Models. {III}. Modeling Backbone\slash
Side-Group Interactions by an Ab Initio Study of
2,4-Diphenylpentane",
journal = j-IJQC,
volume = "46",
number = "2",
pages = "271--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Datta:1993:TEE,
author = "S. N. Datta and N. V. Prabhu",
title = "Transport of Excitation Energy in a Doped Molecular
Aggregate {III}. Numerical Investigation of Exciton
Hopping with Various Exciton-Depleting Processes",
journal = j-IJQC,
volume = "46",
number = "2",
pages = "295--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Taseli:1993:ACE,
author = "H. Taseli",
title = "Accurate Computation of the Energy Spectrum for
Potentials with Multiminima",
journal = j-IJQC,
volume = "46",
number = "2",
pages = "319--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Brandas:1993:RMI,
author = "E. J. Br{\"{a}}ndas",
title = "Resonances and Microscopic Irreversibility: An
Introduction",
journal = j-IJQC,
volume = "46",
number = "3",
pages = "339--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Peskin:1993:CCS,
author = "U. Peskin and N. Moiseyev",
title = "The Complex Coordinate Scattering Theory and Its
Application to the Study of the Surface Asymmetry
Effect in Helium Diffraction from Copper",
journal = j-IJQC,
volume = "46",
number = "3",
pages = "343--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Saenz:1993:CIO,
author = "A. Saenz and W. Weyrich and P. Froelich",
title = "A Configuration-Interaction-Oriented Implementation of
the Complex Coordinate Method",
journal = j-IJQC,
volume = "46",
number = "3",
pages = "365--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Andersson:1993:MTP,
author = "N. Andersson",
title = "A Multiple-Transient-Point {WKB} Investigation of
Complex Energy Resonances",
journal = j-IJQC,
volume = "46",
number = "3",
pages = "375--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Siedentop:1993:FOC,
author = "H. Siedentop",
title = "First-Order Corrections to Sums of Zeroth and First
Power of Absolute Values of Negative Eigenvalues of
{Schr{\"o}dinger} Operators with Potentials with
{Coulomb} Singularity in the Semiclassical Limit",
journal = j-IJQC,
volume = "46",
number = "3",
pages = "383--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kumicak:1993:CSL,
author = "J. Kumicak and E. Br{\"{a}}ndas",
title = "Complex Scaling and {Lyapunov} Converters",
journal = j-IJQC,
volume = "46",
number = "3",
pages = "391--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kurasov:1993:RIS,
author = "P. B. Kurasov and N. Elander and B. Pavlov",
title = "Resonances and Irreversibility for {Schr{\"o}dinger}
Evolution",
journal = j-IJQC,
volume = "46",
number = "3",
pages = "401--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kurasov:1993:CSS,
author = "P. B. Kurasov and N. Elander",
title = "Complex Scaling and Self-Adjoint Dilations",
journal = j-IJQC,
volume = "46",
number = "3",
pages = "415--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Brandas:1993:PCN,
author = "E. J. Br{\"{a}}ndas and I. E. Antoniou",
title = "On the Positivity Condition in the Nonunitary
Transformation Theory of Irreversibility",
journal = j-IJQC,
volume = "46",
number = "3",
pages = "419--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Antoniou:1993:GSD,
author = "I. Antoniou and S. Tasaki",
title = "Generalized Spectral Decompositions of Mixing
Dynamical Systems",
journal = j-IJQC,
volume = "46",
number = "3",
pages = "425--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Banacky:1993:DCD,
author = "P. Banacky and M. Svrcek",
title = "Dissipative and Coherent Dynamics Induced by a
Nonadiabatic Electron-Phonon Coupling: Aspects of
Superconductivity",
journal = j-IJQC,
volume = "46",
number = "3",
pages = "475--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Chatzidimitriou-Dreismann:1993:PDQ,
author = "C. Chatzidimitriou-Dreismann",
title = "Protonic Delocalization and Quantum Correlations in
the {H}-Bond Dynamics of {G--C} and $\kappa-\pi$ {DNA}
Base Pairs",
journal = j-IJQC,
volume = "46",
number = "3",
pages = "483--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Brandas:1993:SCH,
author = "E. J. Br{\"{a}}ndas",
title = "Some Comments on {H-Bond} Dynamics in {DNA} Base
Pairs",
journal = j-IJQC,
volume = "46",
number = "3",
pages = "499--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lowdin:1993:SPG,
author = "P.-O. L{\"o}wdin",
title = "On Some Properties of General Linear Operators",
journal = j-IJQC,
volume = "46",
number = "3",
pages = "505--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Martin:1993:ASS,
author = "M. Martin and L. Sandoval and J. F. Rivas-Silva and A.
Palma",
title = "Amplitude Squared Squeezed States in the
{Fock--Bargmann} Space",
journal = j-IJQC,
volume = "46",
number = "4",
pages = "515--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Mukherjee:1993:GFN,
author = "A. K. Mukherjee and D. K. Das",
title = "Graph Factorization: {A} New Mode of Application of
Vertex-Alternation Scheme",
journal = j-IJQC,
volume = "46",
number = "4",
pages = "519--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Penotti:1993:OBS,
author = "F. E. Penotti",
title = "The Optimized-Basis-Set Multiconfiguration
Spin-Coupled Method for the Ab Initio Calculation of
Atomic and Molecular Electronic Wave Functions",
journal = j-IJQC,
volume = "46",
number = "4",
pages = "535--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Cheranovskii:1993:ESH,
author = "V. O. Cheranovskii",
title = "Electron Structure of a High-Spin Hydrocarbon
Polyallyl: {Hubbard} Approximation with a Strong
Electron Repulsion",
journal = j-IJQC,
volume = "46",
number = "4",
pages = "577--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Morrison:1993:NRC,
author = "R. C. Morrison",
title = "The Non-{$N$}-Representability of the
{Colle--Salvetti} Second-Order Reduced Density Matrix",
journal = j-IJQC,
volume = "46",
number = "4",
pages = "583--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Cassam-Chenai:1993:SUC,
author = "P. Cassam-Chenai and G. S. Chandler",
title = "Spin-Unrestricted Calculations in Quantum Chemistry",
journal = j-IJQC,
volume = "46",
number = "5",
pages = "593--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ley-Koo:1993:HAS,
author = "E. Ley-Koo and S. Mateos-Cortes",
title = "The Hydrogen Atom in a Semi-Infinite Space Limited by
a Hyperboloidal Boundary",
journal = j-IJQC,
volume = "46",
number = "5",
pages = "609--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Sadlej:1993:SWI,
author = "J. Sadlej and W. D. Edwards",
title = "A Study of the Weak Interactions in {SCO\slash He} and
{SCO\slash N$_2$} Systems",
journal = j-IJQC,
volume = "46",
number = "5",
pages = "623--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Bonchev:1993:SRW,
author = "D. Bonchev and L. B. Kier and O. Mekenyan",
title = "Self-Returning Walks and Fractional Electronic Charges
of Atoms in Molecules",
journal = j-IJQC,
volume = "46",
number = "5",
pages = "635--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Melo:1993:TSI,
author = "A. Melo and J. A. N. F. Gomes",
title = "Theoretical Study of Ionization Potentials in
Monosubstituted Benzenes",
journal = j-IJQC,
volume = "46",
number = "5",
pages = "651--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kumar:1993:TCP,
author = "P. Kumar",
title = "The Theory of Critical Phenomena: An Introduction to
the Renormalization Group. by {J. J. Binney}, {N. J.
Dowrickm}, {A. J. Fisher}, and {M. E. J. Newman}",
journal = j-IJQC,
volume = "46",
number = "5",
pages = "671--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Tai:1993:RUL,
author = "C. C. Tai and S. R. Vatsya and H. O. Pritchard",
title = "Related Upper and Lower Bounds to Atomic Binding
Energies",
journal = j-IJQC,
volume = "46",
number = "6",
pages = "675--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Koga:1993:AAD,
author = "T. Koga and Y. Kasai and A. J. Thakkar",
title = "Accurate Algebraic Densities and Intracules for
Heliumlike Ions",
journal = j-IJQC,
volume = "46",
number = "6",
pages = "689--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Monaco:1993:CSP,
author = "R. R. Monaco and M. Zhao",
title = "Computational Studies of Peripheral Ring Twisting in
Meso-{$N$}-Methyl Pyridyl-Substituted Porphyrins",
journal = j-IJQC,
volume = "46",
number = "6",
pages = "701--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Thu Jan 04 11:47:30 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Dehareng:1993:ACE,
author = "D. Dehareng and G. Dive and J. M. Ghuysen",
title = "Analytical Calculation of the Electrostatic
Interaction Energy within the {CNDO} Framework",
journal = j-IJQC,
volume = "46",
number = "6",
pages = "711--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Theophilou:1993:OCD,
author = "A. K. Theophilou and N. H. March",
title = "Optimally Convergent Determinantal Expansion of
Many-Electron Wave Functions",
journal = j-IJQC,
volume = "46",
number = "6",
pages = "735--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kumar:1993:QFT,
author = "P. Kumar",
title = "{{\em Quantum Field Theory and Critical Phenomena}, by
J. Zinn-Justin}",
journal = j-IJQC,
volume = "46",
number = "6",
pages = "745--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Monkhorst:1993:CGT,
author = "H. J. Monkhorst",
title = "{{\em Chemical Graph Theory: Reactivity and Kinetics},
Vol. 2, Edited by D. Bonchev and D. H. Rouvray}",
journal = j-IJQC,
volume = "46",
number = "6",
pages = "747--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lowdin:1993:Eb,
author = "P.-O. L{\"o}wdin",
title = "Editorial",
journal = j-IJQC,
volume = "47",
number = "1",
pages = "1--??",
day = "5",
month = jul,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Nooijen:1993:DAA,
author = "M. Nooijen and J. G. Snijders",
title = "Diagrammatic Analysis and Application of the Coupled
Cluster Response Approach to Ground-State Expectation
Values",
journal = j-IJQC,
volume = "47",
number = "1",
pages = "3--??",
day = "5",
month = jul,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Boughton:1993:TUL,
author = "J. W. Boughton and P. Pulay",
title = "The Tautomers of Uracil: {A} Local Correlation
Treatment",
journal = j-IJQC,
volume = "47",
number = "1",
pages = "49--??",
day = "5",
month = jul,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Shinoda:1993:ESD,
author = "T. Shinoda and N. Shima and M. Tsukada",
title = "Electronic Structure of {DNA} Dimer-Units, {d(AA)
$\cdots$ d(TT)}, {d(TA)$_2$}, {d(AT)$_2$}, in {A} and
{B} Conformations by {DV-X$\alpha$} Cluster
Calculations",
journal = j-IJQC,
volume = "47",
number = "1",
pages = "59--84",
day = "5",
month = jul,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{DeLaVega:1993:GES,
author = "J. M. Garcia {De La Vega} and B. Miguel",
title = "{Gaussian} Expansions from {STOs} by the Distance
Between Subspaces",
journal = j-IJQC,
volume = "47",
number = "1",
pages = "85--??",
day = "5",
month = jul,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Calais:1993:DFT,
author = "J.-L. Calais",
title = "{\em Density-Functional Theory of Atoms and
Molecules}, by {R. G. Parr and W. Yang}",
journal = j-IJQC,
volume = "47",
number = "1",
pages = "101--??",
day = "5",
month = jul,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Chacon:1993:PVM,
author = "M. R. Chacon and M. C. Zerner",
title = "Perturbation-Variational Methods Revisited",
journal = j-IJQC,
volume = "47",
number = "2",
pages = "103--??",
day = "15",
month = jul,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Vracko:1993:SES,
author = "M. G. Vracko and M. Zaider",
title = "A Study of Excited States in trans-Polyacetylene in
the {Hartree--Fock}, {Tamm--Dancoff}, and Random-Phase
Approximation",
journal = j-IJQC,
volume = "47",
number = "2",
pages = "119--??",
day = "15",
month = jul,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Bishop:1993:DQOb,
author = "D. M. Bishop and J. Pipin",
title = "Dipole, Quadrupole, Octupole, and
Dipole-Dipole-Quadrupole Polarizabilities and Second
Hyperpolarizabilities at Real and Imaginary Frequencies
for Helium in the 2$^3$ State. Dispersion-Energy
Coefficients for Interactions Between {He(2$^3$S)} and
{H(1$^2$S)}, {He(1$^1$S)}, {He(2$^3$S)}, or
{H$_2$(X$^1\Sigma^+_g$)}",
journal = j-IJQC,
volume = "47",
number = "2",
pages = "129--??",
day = "15",
month = jul,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Fortunelli:1993:NIS,
author = "A. Fortunelli and O. Salvetti",
title = "A Numerical Integration Scheme for the Evaluation of
Correlation Energy Functionals",
journal = j-IJQC,
volume = "47",
number = "2",
pages = "135--??",
day = "15",
month = jul,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Pecul:1993:DIS,
author = "K. Pecul",
title = "Decomposition and Interpretation of the {SCF}
Interaction and Deformation Energies by the Modified
{Pauli} Blockade Method",
journal = j-IJQC,
volume = "47",
number = "2",
pages = "145--??",
day = "15",
month = jul,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Dmitriev:1993:MCP,
author = "Y. Yu. Dmitriev and A. O. Mitrushenkov and M. P.
Fulscher and B. O. Roos",
title = "A Mutually Consistent Procedure for Excitation
Energies and Transition Densities Based on the {Extended
Brillouin's Theorem}",
journal = j-IJQC,
volume = "47",
number = "2",
pages = "155--??",
day = "15",
month = jul,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Hermansson:1993:ERB,
author = "K. Hermansson",
title = "Erratum: Redshifts and Blueshifts of {OH} Vibrations",
journal = j-IJQC,
volume = "47",
number = "2",
pages = "175--??",
day = "15",
month = jul,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Sebasdiyar:1993:EPB,
author = "I. Sebasdiyar and K. Iyakutti and M. Mahendran",
title = "Effect of Positive Background on the Ground-State
Energy of a {Wigner} Lattice",
journal = j-IJQC,
volume = "47",
number = "3",
pages = "177--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kadolkar:1993:SRM,
author = "C. Kadolkar and C. R. Sarma and D. K. Ghosh",
title = "A Scheme for Representation Matrices of a Permutation
Group Using Spin-Paired Functions",
journal = j-IJQC,
volume = "47",
number = "3",
pages = "185--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Parrondo:1993:EHR,
author = "R. Martin Parrondo and P. Karafiloglou and E. Sanchez
Marcos",
title = "Examination of the {Hund} Rule in Closed-Shell
Systems: Investigation of Spin Correlation Effects",
journal = j-IJQC,
volume = "47",
number = "3",
pages = "191--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Adhikari:1993:DDM,
author = "S. Adhikari and S. P. Bhattacharyya and D. M.
Bhattacharyya",
title = "Decay Dynamics of a Metastable State in a Time-Varying
Electric Field: {A} Three-Level Prototypical System",
journal = j-IJQC,
volume = "47",
number = "3",
pages = "213--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Montagnani:1993:CMC,
author = "R. Montagnani and O. Salvetti",
title = "Computation of Many-Center Exchange Integrals over
{Slater} Orbitals up to 4d by Means of Optimized
{Gaussian} Expansions",
journal = j-IJQC,
volume = "47",
number = "3",
pages = "225--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Aleman:1993:HRP,
author = "C. Aleman and J. J. Perez",
title = "Helical Region of the Potential Energy Surface of
alpha-Aminoisobutyric Acid: {A} Theoretical Study",
journal = j-IJQC,
volume = "47",
number = "3",
pages = "231--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Strich:1993:QHC,
author = "A. Strich",
title = "{\em Quanta: a Handbook of Concepts}, Second Edition,
by {P. W. Atkins}",
journal = j-IJQC,
volume = "47",
number = "3",
pages = "239--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Katriel:1993:PCS,
author = "J. Katriel",
title = "Products of Class-Sums of the Symmetric Group:
Generalizing the Recurrence Relations",
journal = j-IJQC,
volume = "47",
number = "4",
pages = "243--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Piecuch:1993:MSC,
author = "P. Piecuch",
title = "{MAPLE} Symbolic Computation of the Long-Range
Many-Body Intermolecular Potentials: Three-Body
Induction Forces Between Two Atoms and a Linear
Molecule",
journal = j-IJQC,
volume = "47",
number = "4",
pages = "261--305",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
affiliation = "Inst. of Chem., Wroclaw Univ., Poland",
chemicalindex = "ArArHCl/ss Ar/ss Cl/ss H/ss",
classification = "A3420 (Interatomic and intermolecular potentials and
forces); C7320 (Physics and Chemistry)",
keywords = "Ar-Ar-HCl; Atoms; High-resolution microwave studies;
Irreducible tensor formalism; Isosceles triangular
configuration; LATEX; Linear molecule; Long-range
many-body intermolecular potentials; MAPLE symbolic
computation; Multipole approximation level; Nonadditive
induction effects; Rayleigh--Schr{\"o}dinger
perturbation theory; Three-body induction forces;
Typesetting language; Van der Waals coefficients",
thesaurus = "Argon; Hydrogen compounds; Intermolecular mechanics;
Physics computing; Potential energy functions",
}
@Article{Mestres:1993:IRC,
author = "J. Mestres and M. Duran",
title = "Intrinsic Reaction Coordinate of Perturbed Potential
Energy Surfaces: Construction of Perturbed Energy
Profiles",
journal = j-IJQC,
volume = "47",
number = "4",
pages = "307--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Planelles:1993:SPF,
author = "J. Planelles and C. M. Zicovich-Wilson",
title = "A Simple Proof for the Formula to Get Symmetrized
Powers of Group Representations",
journal = j-IJQC,
volume = "47",
number = "4",
pages = "319--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Tanaka:1993:EPH,
author = "K. Tanaka and A. Takata and M. Okada and T. Yamabe",
title = "Electronic-Phase of the {Hartree--Fock} Solution of
the Infinite One-Dimensional System: Structural Change
in an Arbitrarily Doped Polyacetylene Chain",
journal = j-IJQC,
volume = "47",
number = "5",
pages = "325--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Giaturco:1993:IPE,
author = "F. A. Giaturco and E. Buonomo and E. Semprini and F.
Stefani and A. Palma",
title = "Ab Initio Potential Energy Function for the Dynamics
of the Fluoronium Ion",
journal = j-IJQC,
volume = "47",
number = "5",
pages = "335--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Gianturco:1993:SDE,
author = "F. A. Gianturco and E. Buonomo and S. Serna",
title = "Selective Dynamic Energy Transfers in Proton
Collisions with Hydrogen Fluoride",
journal = j-IJQC,
volume = "47",
number = "5",
pages = "375--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Wang:1993:BRP,
author = "X. Wang and Z. Peng",
title = "Binding Regions in Polyatomic Molecules",
journal = j-IJQC,
volume = "47",
number = "5",
pages = "393--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Nunez:1993:ACE,
author = "M. A. Nunez and G. {B. Izquierdo}",
title = "Accurate Computation of Eigenfunctions for
{Schr{\"o}dinger} Operators in One Dimension",
journal = j-IJQC,
volume = "47",
number = "6",
pages = "405--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Aucar:1993:RTI,
author = "G. A. Aucar and J. Oddershede",
title = "Relativistic Theory for Indirect Nuclear Spin-Spin
Couplings within the Polarization Propagator Approach",
journal = j-IJQC,
volume = "47",
number = "6",
pages = "425--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Chandra:1993:TDH,
author = "A. K. Chandra and V. S. Rao",
title = "Temperature Dependence of Hydrogen Transfer Reactions
Via Tunneling at Low Temperatures",
journal = j-IJQC,
volume = "47",
number = "6",
pages = "437--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Maekawa:1993:ESA,
author = "K. Maekawa and A. Imamura",
title = "Electronic Structures around the Local Defects in
All-trans-Polyacetylene: An Analysis by the
Cluster-Series Model",
journal = j-IJQC,
volume = "47",
number = "6",
pages = "449--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Angyan:1993:RSP,
author = "J{\'a}nos G. {\'A}ngy{\'a}n",
title = "{Rayleigh--Schr{\"o}dinger} Perturbation Theory for
Nonlinear {Schr{\"o}dinger} Equations with Linear
Perturbation",
journal = j-IJQC,
volume = "47",
number = "6",
pages = "469--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Cann:1993:ECE,
author = "N. M. Cann and R. J. Boyd and A. J. Thakkar",
title = "Electron Correlation Effects in the {Rydberg}-like
{3$^3$D} and {3$^1$D} States of Helium-like Ions",
journal = j-IJQC,
volume = "48",
number = "1",
pages = "1--??",
day = "5",
month = oct,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Nooijen:1993:CCG,
author = "M. Nooijen and J. G. Snijders",
title = "Coupled Cluster {Green}'s Function Method: Working
Equations and Applications",
journal = j-IJQC,
volume = "48",
number = "1",
pages = "15--??",
day = "5",
month = oct,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Li:1993:ESH,
author = "M. Li",
title = "Electronic Structures of {High-T$_c$} Superconductors
{LnBa$_2$Cu$_3$O$_7$} (Ln=Pr, Nd, Gd, Dy)",
journal = j-IJQC,
volume = "48",
number = "1",
pages = "49--??",
day = "5",
month = oct,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Jankowski:1993:MSV,
author = "K. Jankowski and P. Malinowski",
title = "Multiple Solutions of the Valence-Universal
Coupled-Cluster Equations for {Be}, {B}$^+$, and
{C$^{2+}$}",
journal = j-IJQC,
volume = "48",
number = "1",
pages = "59--??",
day = "5",
month = oct,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Brinck:1993:MSE,
author = "R. Brinck and J. S. Murray and P. Politzer",
title = "Molecular Surface Electrostatic Potentials and Local
Ionization Energies of Group {V-VII} Hydrides and Their
Anions: Relationships for Aqueous and Gas-Phase
Acidities",
journal = j-IJQC,
volume = "48",
number = "2",
pages = "73--??",
day = "15",
month = oct,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Sana:1993:ESL,
author = "M. Sana and G. Leroy",
title = "Early Stages of {LiX}, {BeH$_2$X}, and {BH$_3$X}
Pyrolysis ({X} Stands for {NH$_3$} or {OH$_2$}): {A}
Theoretical Study of Weak Dative Complex Stability",
journal = j-IJQC,
volume = "48",
number = "2",
pages = "89--??",
day = "15",
month = oct,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kryachko:1993:CPC,
author = "E. S. Kryachko",
title = "On the {Car--Parrinello} Computational Scheme:
Rigouous Treatment",
journal = j-IJQC,
volume = "48",
number = "2",
pages = "109--??",
day = "15",
month = oct,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Katriel:1993:ESC,
author = "J. Katriel and R. Pauncz",
title = "Eigenvalues of Single-Cycle Class-Sums in the
Symmetric Group {II}",
journal = j-IJQC,
volume = "48",
number = "2",
pages = "125--??",
day = "15",
month = oct,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Laszlo:1993:SEE,
author = "I. Laszlo",
title = "Stable Electronic Energy Level in the Presence of
Off-Diagonal Disorder",
journal = j-IJQC,
volume = "48",
number = "2",
pages = "135--??",
day = "15",
month = oct,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Klauder:1993:QFT,
author = "J. R. Klauder",
title = "Quantum Field Theory: {A} Modern Introduction. By
{Michio Kaku}",
journal = j-IJQC,
volume = "48",
number = "2",
pages = "147--??",
day = "15",
month = oct,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Maranon:1993:NRE,
author = "J. Maranon",
title = "Nonlinear {Roothaan}'s Equations",
journal = j-IJQC,
volume = "48",
number = "3",
pages = "151--??",
day = "5",
month = nov,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Jeziorski:1993:ECE,
author = "B. Jeziorski and R. Moszynski",
title = "Explicitly Connected Expansion for the Average Value
of an Observable in the Coupled-Cluster Theory",
journal = j-IJQC,
volume = "48",
number = "3",
pages = "161--??",
day = "5",
month = nov,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Fritsche:1993:FPAa,
author = "L. Fritsche",
title = "A First-Principles Approach to High-{T$_c$}
Superconductivity {I}. {A} Consistent One-Electron
Theory of the {$N$}-Electron Problem",
journal = j-IJQC,
volume = "48",
number = "3",
pages = "185--??",
day = "5",
month = nov,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Fritsche:1993:FPAb,
author = "L. Fritsche",
title = "A First-Principles Approach to {High-T$_c$}
Superconductivity {II}. The Superconducting Ground
State",
journal = j-IJQC,
volume = "48",
number = "3",
pages = "210--??",
day = "5",
month = nov,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Simons:1993:FTS,
author = "J. Simons",
title = "Finding Transition States When Second-Order
{Jahn--Teller} Instability Occurs",
journal = j-IJQC,
volume = "48",
number = "3",
pages = "211--??",
day = "5",
month = nov,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Pavao:1993:GFE,
author = "A. C. Pavao and J. S. Craw and M. A. C. Nascimento",
title = "Ground and First Excited States of Fractionally
Charged Sodium Atoms",
journal = j-IJQC,
volume = "48",
number = "4",
pages = "219--??",
day = "10",
month = nov,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Thu Jan 04 11:47:42 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lowdin:1993:SRR,
author = "P.-O. L{\"o}wdin",
title = "Some Remarks on the Resemblance Theorems Associated
with Various Orthonormalization Procedures",
journal = j-IJQC,
volume = "48",
number = "4",
pages = "225--??",
day = "10",
month = nov,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Mohan:1993:EFM,
author = "C. G. Mohan and A. Kumar and P. C. Mishra",
title = "Electric-Field Mapping of Some Anions and Cations of
Adenine and Guanine",
journal = j-IJQC,
volume = "48",
number = "4",
pages = "233--??",
day = "10",
month = nov,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kleindienst:1993:MTO,
author = "H. Kleindienst and A. Luchow",
title = "Multiplication Theorems for Orthogonal Polynomials",
journal = j-IJQC,
volume = "48",
number = "4",
pages = "239--??",
day = "10",
month = nov,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Su:1993:PTD,
author = "M.-D. Su",
title = "Perturbation Theory to Determine the Stable Isomer of
Triatomic Linear Molecules",
journal = j-IJQC,
volume = "48",
number = "4",
pages = "249--??",
day = "10",
month = nov,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Fortunelli:1993:RRE,
author = "A. Fortunelli and O. Salvetti",
title = "Recurrence Relations for the Evaluation of Electron
Repulsion Integrals over Spherical {Gaussian}
Functions",
journal = j-IJQC,
volume = "48",
number = "4",
pages = "257--??",
day = "10",
month = nov,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Siregar:1993:LLE,
author = "R. E. Siregar and M. O. Tjia",
title = "The Low-Lying Excitation Energies of Polyenes
Investigated with a Chain-Length-Dependent Screened
Potential",
journal = j-IJQC,
volume = "48",
number = "4",
pages = "267--??",
day = "10",
month = nov,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Thu Jan 04 11:35:03 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Goursot:1993:GSM,
author = "A. Goursot and F. Mele and N. Russo and D. R. Salahub
and M. Toscano",
title = "Geometrical, Spectroscopic, and Magnetic Properties of
an Oxygen Atom Adsorbed on the {Ni}(100) Surface",
journal = j-IJQC,
volume = "48",
number = "5",
pages = "277--??",
day = "5",
month = dec,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Thu Jan 04 11:41:22 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Mei:1993:TAC,
author = "C. Mei and K. E. Edgecombe and V. H. {Smith, Jr.} and
A. Heilingbruner",
title = "Topological Analysis of the Charge Density of Solids:
bcc Sodiuum and Lithium",
journal = j-IJQC,
volume = "48",
number = "5",
pages = "287--??",
day = "5",
month = dec,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Koster:1993:MMA,
author = "A. M. Koster and K. Jug",
title = "Multipole Moment Analysis for Hydrides, Fluorides, and
Lithium Compounds of First- and Second-Row Elements",
journal = j-IJQC,
volume = "48",
number = "5",
pages = "295--??",
day = "5",
month = dec,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Rusho:1993:SOJ,
author = "J. Rusho and J. Nichols and J. Simons",
title = "Second-Order {Jahn--Teller} Instability and the
Activation Energy for {${\rm Al}^+(^1S) + {\rm H}_2
\rightarrow {\rm AlH}^+(^2\Sigma^+) + {\rm H}$}",
journal = j-IJQC,
volume = "48",
number = "5",
pages = "309--317",
day = "5",
month = dec,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Koch:1993:FES,
author = "W. Koch and M. Eckert-Maksic and Z. B. Maksic",
title = "Fluorination Effect on the Structural Properties in
Benzocyclobutenes and Benzocyclobutadienes",
journal = j-IJQC,
volume = "48",
number = "5",
pages = "319--??",
day = "5",
month = dec,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kanev:1993:ESH,
author = "I. Kanev",
title = "Electronic Structure and Hyperpolarizability of some
Conjugated Molecules in Excited States",
journal = j-IJQC,
volume = "48",
number = "5",
pages = "333--??",
day = "5",
month = dec,
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Thu Jan 04 11:47:18 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Pierini:1993:SEP,
author = "A. B. Pierini and J. S. {Duca, Jr.}",
title = "Semiempirical Evaluation for Proton Affinities of
Phosphorus Compounds",
journal = j-IJQC,
volume = "48",
number = "6",
pages = "343--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Park:1993:VES,
author = "J. K. Park and H. Sun",
title = "Valence Electronic States of {NH$^2$}$^+$ and
{PH$^2$}+ Dications",
journal = j-IJQC,
volume = "48",
number = "6",
pages = "355--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Goodfriend:1993:MCU,
author = "P. L. Goodfriend and S. I. Tsonchev",
title = "Molecular Calculations Using Space-Restricted Basis
Functions",
journal = j-IJQC,
volume = "48",
number = "6",
pages = "367--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Cook:1993:SCC,
author = "D. B. Cook and J. A. Sordo and T. L. Sordo",
title = "Some Comments on the Counterpoise Correction for the
Basis Set Superposition Error at the Correlated Level",
journal = j-IJQC,
volume = "48",
number = "6",
pages = "375--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Fang:1994:ISI,
author = "D. C. Fang and X.-Y. Fu",
title = "Ab Initio Studies on the {IRC} and Rate Constant of
the Reaction Between Acetylene and the Hydrogen Atom",
journal = j-IJQC,
volume = "49",
number = "1",
pages = "3--??",
day = "5",
month = jan,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lopez:1994:CTC,
author = "R. Lopez and G. Ramirez",
title = "Calculation of Two-Center Exchange Integrals with
{STOs} Using {M{\"o}bius} Transformations",
journal = j-IJQC,
volume = "49",
number = "1",
pages = "11--??",
day = "5",
month = jan,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Firestone:1994:LMS,
author = "R. A. Firestone",
title = "Least-Motion Stepwise [$2 + 2$] Ketene Cycloaddition
Pathways Predict the More Hindered {cis-Cycloadducts}",
journal = j-IJQC,
volume = "49",
number = "1",
pages = "21--??",
day = "5",
month = jan,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Cooper:1994:RBK,
author = "I. L. Cooper",
title = "On the Relation Between the {Kratzer} Molecular
Potential and a Set of Displaced {Morse} Oscillator
Potentials",
journal = j-IJQC,
volume = "49",
number = "1",
pages = "25--??",
day = "5",
month = jan,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Strnad:1994:NAM,
author = "M. Strnad and R. Ponec",
title = "Novel Approach to Molecular Similarity: Second-Order
Similarity Indices from Geminal Expansion of Pair
Densities",
journal = j-IJQC,
volume = "49",
number = "1",
pages = "35--??",
day = "5",
month = jan,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Hoor:1994:TSO,
author = "M. J. Ten Hoor",
title = "Three Stages of Optimization and Simple Correlated
Wave Functions",
journal = j-IJQC,
volume = "49",
number = "1",
pages = "45--??",
day = "5",
month = jan,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Proynov:1994:ASC,
author = "E. I. Proynov and D. R. Salahub",
title = "On the Applicability of the Screened-{Coulomb}
Exchange Model in {Kohn--Sham} Density Functional
Studies",
journal = j-IJQC,
volume = "49",
number = "2",
pages = "67--??",
day = "15",
month = jan,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Zhao:1994:AMO,
author = "H. Zhao and J. Li and S. Hu and J. Zhang",
title = "Applications of the Molecular Orbital Graph Theory:
{A} Topological Method to Calculate {$\alpha_N$-K}
Based on $\alpha_{N}$",
journal = j-IJQC,
volume = "49",
number = "2",
pages = "81--??",
day = "15",
month = jan,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Gutman:1994:NSM,
author = "I. Gutman and S.-L. Lee and Y.-L. Luo and Y.-N. Yeh",
title = "Net Signs of Molecular Graphs: Dependence of Molecular
Structure",
journal = j-IJQC,
volume = "49",
number = "2",
pages = "87--??",
day = "15",
month = jan,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Hagfeldt:1994:ELS,
author = "A. Hagfeldt and S. Lunell and H. O. G. Siegbahn",
title = "Energy Levels of Small Titanium Oxide Clusters
Obtained from {SCF} Calculations",
journal = j-IJQC,
volume = "49",
number = "2",
pages = "97--??",
day = "15",
month = jan,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Minyaev:1994:RPG,
author = "R. M. Minyaev",
title = "Reaction Path as a Gradient Line on a Potential Energy
Surface",
journal = j-IJQC,
volume = "49",
number = "2",
pages = "105--??",
day = "15",
month = jan,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Zerner:1994:IPS,
author = "M. C. Zerner and P.-O. L{\"o}wdin",
title = "Introduction to a Paper Symposium on {``The Role of
Quantum Chemistry as a Foundation for the Principles of
Chemistry''}",
journal = j-IJQC,
volume = "49",
number = "3",
pages = "129--??",
day = "20",
month = jan,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1994:RGP,
author = "Anonymous",
title = "Robert {G}. Parr",
journal = j-IJQC,
volume = "49",
number = "3",
pages = "131--??",
day = "20",
month = jan,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1994:BIR,
author = "Anonymous",
title = "Biographical Information for {Robert G. Parr}",
journal = j-IJQC,
volume = "49",
number = "3",
pages = "133--??",
day = "20",
month = jan,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Parr:1994:PL,
author = "R. G. Parr",
title = "Publication List",
journal = j-IJQC,
volume = "49",
number = "3",
pages = "135--??",
day = "20",
month = jan,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Pariser:1994:BPT,
author = "R. Pariser",
title = "Bob Parr, Teacher, Collaborator, Friend: {A} Personal
View",
journal = j-IJQC,
volume = "49",
number = "3",
pages = "145--??",
day = "20",
month = jan,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Wang:1994:EPD,
author = "J. Wang and V. H. {Smith, Jr.}",
title = "Electron-Pair Distributions and Chemical Bonding",
journal = j-IJQC,
volume = "49",
number = "3",
pages = "147--??",
day = "20",
month = jan,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Garza:1994:LHR,
author = "J. Garza and J. Robles",
title = "Local Hardness Revisited: Definition and the
Spin-Polarized {Kohn--Sham} Formulation of Density
Functional Theory",
journal = j-IJQC,
volume = "49",
number = "3",
pages = "159--??",
day = "20",
month = jan,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Glossman:1994:NEK,
author = "M. D. Glossman and L. C. Balbas and A. Rubio and J. A.
Alonso",
title = "Nonlocal Exchange and Kinetic Energy Density
Functionals with Correct Asymptotic Behavior for
Electronic Systems",
journal = j-IJQC,
volume = "49",
number = "3",
pages = "171--??",
day = "20",
month = jan,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Wulfman:1994:SEM,
author = "C. Wulfman",
title = "On the Space of Eigenvectors of Molecular Quantum
Mechanics",
journal = j-IJQC,
volume = "49",
number = "3",
pages = "185--??",
day = "20",
month = jan,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Jug:1994:CSS,
author = "K. Jug and M. Matuschewski",
title = "Classification of Substituents by Sigma and Pi
Electron Energy Separation",
journal = j-IJQC,
volume = "49",
number = "3",
pages = "197--??",
day = "20",
month = jan,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Warren:1994:MHP,
author = "D. S. Warren and B. M. Gimarc",
title = "Maximum Hardness in {P}$_6$ Isomers",
journal = j-IJQC,
volume = "49",
number = "3",
pages = "207--??",
day = "20",
month = jan,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Randic:1994:GBO,
author = "M. Randi{\'c} and X. Guo",
title = "Generalized Bond Orders",
journal = j-IJQC,
volume = "49",
number = "3",
pages = "215--??",
day = "20",
month = jan,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ghosh:1994:EHS,
author = "S. K. Ghosh",
title = "Electronegativity, Hardness, and a Semiempirical
Density Functional Theory of Chemical Binding",
journal = j-IJQC,
volume = "49",
number = "3",
pages = "239--??",
day = "20",
month = jan,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Allen:1994:CE,
author = "L. C. Allen",
title = "Chemistry and Electronegativity",
journal = j-IJQC,
volume = "49",
number = "3",
pages = "253--??",
day = "20",
month = jan,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Nakatsuji:1994:TSM,
author = "H. Nakatsuji and T. Nakao",
title = "Theoretical Study on Metal {NMR} Chemical Shifts:
Germanium Compounds",
journal = j-IJQC,
volume = "49",
number = "3",
pages = "279--??",
day = "20",
month = jan,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Thu Jan 04 11:44:17 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Soirat:1994:ARD,
author = "A. Soirat and M. Flocco and L. Massa",
title = "Approximately {$N$}-Representable Density Functional
Density Matrices",
journal = j-IJQC,
volume = "49",
number = "3",
pages = "291--??",
day = "20",
month = jan,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Bader:1994:WDA,
author = "R. F. W. Bader",
title = "Why Define Atoms in Real Space?",
journal = j-IJQC,
volume = "49",
number = "3",
pages = "299--??",
day = "20",
month = jan,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kneisler:1994:SEC,
author = "J. Kneisler and Z. Zhou",
title = "Substituent Effects on Chemical Hardness",
journal = j-IJQC,
volume = "49",
number = "3",
pages = "309--??",
day = "20",
month = jan,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{March:1994:BBE,
author = "N. H. March",
title = "Building Blocks for Electron Density in Free Molecules
and in Condensed Matter Phases",
journal = j-IJQC,
volume = "49",
number = "3",
pages = "321--??",
day = "20",
month = jan,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Li:1994:SIA,
author = "L.-M. Li and G.-Y. Hong",
title = "Study of Improving the Accuracy of the Total Energy
Calculated by the {DV-Xalpha} Method",
journal = j-IJQC,
volume = "49",
number = "4",
pages = "343--??",
day = "5",
month = feb,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Nagy:1994:SVT,
author = "A. Nagy",
title = "Spin Virial Theorem in the Density Functional Theory",
journal = j-IJQC,
volume = "49",
number = "4",
pages = "353--??",
day = "5",
month = feb,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Mitra:1994:PSC,
author = "A. Mitra and J. F. Capitani",
title = "A {PM3} Study of the Critical Distance Factor in the
Activation\slash Cyclization of Selected
Neocarzinostatin Analogs",
journal = j-IJQC,
volume = "49",
number = "4",
pages = "363--??",
day = "5",
month = feb,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Cybulski:1994:TRD,
author = "S. M. Cybulski and D. M. Bishop",
title = "Theory of Relaxed Density Matrices: Application to
Second-Order Response Properties",
journal = j-IJQC,
volume = "49",
number = "4",
pages = "371--??",
day = "5",
month = feb,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Eckert-Maksic:1994:PFA,
author = "M. Eckert-Maksic and Z. B. Maksic and M. Klessinger",
title = "Protonation of Fused Aromatic Systems: Ab Initio Study
of Some Model {Wheland} Intermediates",
journal = j-IJQC,
volume = "49",
number = "4",
pages = "383--??",
day = "5",
month = feb,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Shrivastava:1994:MEC,
author = "I. H. Shrivastava and S. R. Gadre",
title = "Molecular Electrostatic Charge Models: {A}
Topographical Approach",
journal = j-IJQC,
volume = "49",
number = "4",
pages = "397--??",
day = "5",
month = feb,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Xantheas:1994:PES,
author = "S. S. Xantheas and K. Reudenberg",
title = "Potential Energy Surfaces of Carbon Dioxide",
journal = j-IJQC,
volume = "49",
number = "4",
pages = "409--??",
day = "5",
month = feb,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{DelRe:1994:CES,
author = "G. {Del Re} and A. Peluso",
title = "Chemical Effects and Surface Properties: The Nature of
an Absorbed Complex",
journal = j-IJQC,
volume = "49",
number = "4",
pages = "429--??",
day = "5",
month = feb,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Bartolotti:1994:QOC,
author = "L. J. Bartolotti and L. Ortiz and Q. Xie",
title = "Quadrupole and Octupole {Cauchy} Moments of the Atoms
Through Argon",
journal = j-IJQC,
volume = "49",
number = "4",
pages = "449--??",
day = "5",
month = feb,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Cioslowski:1994:ESB,
author = "J. Cioslowski",
title = "Electronic Structure of the
{Benzene-Tetracyanoethylene} Complex: {A} Synthesis of
Molecular Orbital and Density Functional Descriptions",
journal = j-IJQC,
volume = "49",
number = "4",
pages = "463--??",
day = "5",
month = feb,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Rychlewski:1994:UEC,
author = "J. Rychlewski",
title = "On the Use of Explicitly Correlated Functions in
Variational Computations for Small Molecules",
journal = j-IJQC,
volume = "49",
number = "4",
pages = "477--??",
day = "5",
month = feb,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Pendergast:1994:CBS,
author = "P. Pendergast and J. M. Heck and E. F. Hayes",
title = "A Comparative Basis-Set Study of {NeH$^+$} Using
Coupled-Cluster Techniques",
journal = j-IJQC,
volume = "49",
number = "4",
pages = "495--509",
day = "5",
month = feb,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Sosa:1994:ESC,
author = "C. Sosa and J. Andelm and C. Lee and J. F. Blake and
B. L. Chenard",
title = "Electronic Structure Calculations of {1,3-Dipolar}
Cycloadditions Using Density Functional and
{Hartree--Fock} Methods",
journal = j-IJQC,
volume = "49",
number = "4",
pages = "511--??",
day = "5",
month = feb,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lee:1994:AMD,
author = "C. Lee and X. Long and I. Carpenter and S. Smithline
and G. Fitzgerald",
title = "Applications of Molecular Dynamics Simulations Coupled
with {Harris} Functional Approximation to Argon",
journal = j-IJQC,
volume = "49",
number = "4",
pages = "527--??",
day = "5",
month = feb,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Thu Jan 04 11:29:06 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Levy:1994:DFE,
author = "M. Levy and J. P. Perdew",
title = "Density Functionals for Exchange and Correlation
Energies: Exact Conditions and Comparison of
Approximations",
journal = j-IJQC,
volume = "49",
number = "4",
pages = "539--??",
day = "5",
month = feb,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Fuentealba:1994:CEF,
author = "P. Fuentealba",
title = "A Correlation-Energy Functional from a
Correlation-Factor Model",
journal = j-IJQC,
volume = "49",
number = "4",
pages = "549--??",
day = "5",
month = feb,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Perera:1994:LHP,
author = "S. A. Perera and D. E. Bernholdt and R. J. Bartlett",
title = "Localized {Hartree} Product Orbitals in Correlated
Studies of Molecules",
journal = j-IJQC,
volume = "49",
number = "5",
pages = "559--??",
day = "15",
month = feb,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Murray:1994:DAI,
author = "J. S. Murray and J. M. Seminario and P. Politzer",
title = "Does Antiaromaticity Imply Net Destabilization?",
journal = j-IJQC,
volume = "49",
number = "5",
pages = "575--??",
day = "15",
month = feb,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anderson:1994:EDD,
author = "A. B. Anderson",
title = "Electron Density Distribution Functions and the
{ASED-Mo} Theory",
journal = j-IJQC,
volume = "49",
number = "5",
pages = "581--??",
day = "15",
month = feb,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Valone:1994:DSG,
author = "S. M. Valone",
title = "A Dimensionally Scaled Generalization of Constrained
Search Energy Density Functionals",
journal = j-IJQC,
volume = "49",
number = "5",
pages = "591--??",
day = "15",
month = feb,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Thu Jan 04 11:47:58 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Chacon:1994:EMC,
author = "M. R. Chacon and M. C. Zerner",
title = "An Efficient Method for Calculating Static
Polarizabilities from a Correlated Wave Function",
journal = j-IJQC,
volume = "49",
number = "5",
pages = "601--??",
day = "15",
month = feb,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Zhu:1994:SAD,
author = "T. Zhu and W. Yang",
title = "Structure of the Ammonia Dimer Studied Density
Functional Theory",
journal = j-IJQC,
volume = "49",
number = "5",
pages = "613--??",
day = "15",
month = feb,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Tachibana:1994:WAC,
author = "A. Tachibana",
title = "Wannier Analysis of the {Cooper} Pairing Force",
journal = j-IJQC,
volume = "49",
number = "5",
pages = "625--??",
day = "15",
month = feb,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Aug 17 16:22:10 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lee:1994:CSG,
author = "S.-L. Lee and C. Li",
title = "Chemical Signed Graph Theory",
journal = j-IJQC,
volume = "49",
number = "5",
pages = "639--??",
day = "15",
month = feb,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Morrison:1994:EKT,
author = "R. C. Morrison",
title = "Extended {Koopmans}' Theorem Ionization Potentials for
Beryllium Atom Shake-Up Transitions",
journal = j-IJQC,
volume = "49",
number = "5",
pages = "649--??",
day = "15",
month = feb,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kais:1994:LDA,
author = "S. Kais and S. M. Sung and D. R. Herschbach",
title = "Large-{$Z$} and -{$N$} Dependence of Atomic Energies
from Renormalization of the Large-Dimension Limit",
journal = j-IJQC,
volume = "49",
number = "5",
pages = "657--??",
day = "15",
month = feb,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Nalewajski:1994:SAC,
author = "R. F. Nalewajski",
title = "Sensitivity Analysis of Charge Transfer Systems: In
Situ Quantities, Intersecting State Model and Its
Implications",
journal = j-IJQC,
volume = "49",
number = "5",
pages = "675--??",
day = "15",
month = feb,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Chattaraj:1994:EDC,
author = "P. K. Chattaraj and S. Nath",
title = "Electronegativity Dynamics in a Chemical Reaction",
journal = j-IJQC,
volume = "49",
number = "5",
pages = "705--??",
day = "15",
month = feb,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Arai:1994:ECT,
author = "Tadashi Arai",
title = "Electron Correlations and Transport Effective Mass in
Narrow-Band Systems and the {Hubbard} Model",
journal = j-IJQC,
volume = "49",
number = "5",
pages = "727--??",
day = "15",
month = feb,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Parr:1994:CS,
author = "R. G. Parr",
title = "Companions in the Search",
journal = j-IJQC,
volume = "49",
number = "5",
pages = "739--??",
day = "15",
month = feb,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Fakhreddine:1994:CFA,
author = "K. Fakhreddine and H. Kobeissi",
title = "A ``Canonical Functions'' Approach to the Eigenvalues
of a System of Two Coupled {Schr{\"o}dinger}
Equations",
journal = j-IJQC,
volume = "49",
number = "6",
pages = "773--??",
day = "5",
month = mar,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Cai:1994:ISL,
author = "Z.-L. Cai",
title = "Ab Initio Study of the Low-Lying Electronic States of
the {CH$_2$NO$_2$} Radical",
journal = j-IJQC,
volume = "49",
number = "6",
pages = "781--??",
day = "5",
month = mar,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Calamante:1994:FPI,
author = "F. Calamante and R. C. Bochicchio and H. Grinberg",
title = "{Feynman} Path Integral Representation for
Many-{Fermion} Interacting Systems",
journal = j-IJQC,
volume = "49",
number = "6",
pages = "789--??",
day = "5",
month = mar,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Moustafa:1994:EGE,
author = "H. Moustafa and S. El-Taher and M. M. Hamed and R.
Hilal",
title = "Equilibrium Geometry and Electronic of Benzylidene,
Arylethylidene, and Heterocyclic Arylidene
Malononitriles",
journal = j-IJQC,
volume = "49",
number = "6",
pages = "805--??",
day = "5",
month = mar,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Pacios:1994:OTZ,
author = "L. F. Pacios and P. C. Gomez",
title = "Optimized Triple-Zeta {Gaussian} Basis Sets for Use
with Relativistic Effective Potentials",
journal = j-IJQC,
volume = "49",
number = "6",
pages = "817--??",
day = "5",
month = mar,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Koch:1994:BCC,
author = "H. Koch and R. Kobayashi and P. Jorgensen",
title = "{Brueckner} Coupled Cluster Response Functions",
journal = j-IJQC,
volume = "49",
number = "6",
pages = "835--??",
day = "5",
month = mar,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Shinoda:1994:ESD,
author = "T. Shinoda and N. Shima and M. Tsukada",
title = "Electronic Structure of {DNA} Dimer Units, {d(AG)cdot}
{d(CT),d(TG)cdot} {d(CA)}, {d(AC)cdot} {d(GT)}, and
{d(TC)cdot} {d(GA)}, in {A} and {B} Conformations by
{DV-Xalpha} Cluster Calculations",
journal = j-IJQC,
volume = "49",
number = "6",
pages = "849--??",
day = "5",
month = mar,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Monkhorst:1994:LRC,
author = "H. Monkhorst",
title = "Long-Range {Casimir} Forces --- Theory and Recent
Experiments on Atomic Systems. {Edited by Frank S.
Levin and David A. Micha}",
journal = j-IJQC,
volume = "49",
number = "6",
pages = "877--??",
day = "5",
month = mar,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Bonchev:1994:MCC,
author = "D. Bonchev and A. T. Balaban and X. Liu and D. J.
Klein",
title = "Molecular Cyclicity and Centricity of Polycyclic
Graphs. {I} Cyclicity Based on Resistance Distance or
Reciprocal Distances",
journal = j-IJQC,
volume = "50",
number = "1",
pages = "1--??",
day = "15",
month = mar,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Bouferguene:1994:NSC,
author = "A. Bouferguene and D. Rinaldi",
title = "A New Single-Center Method to Compute Molecular
Integrals of Quantum Chemistry in {Slater}-Type Orbital
Basis of Functions",
journal = j-IJQC,
volume = "50",
number = "1",
pages = "21--??",
day = "15",
month = mar,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ponec:1994:PAP,
author = "R. Ponec and M. Strnad",
title = "Population Analysis of Pair Densities: {A} Link
Between Quantum Chemical and Classical Picture of
Chemical Structure",
journal = j-IJQC,
volume = "50",
number = "1",
pages = "43--??",
day = "15",
month = mar,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Wu:1994:ONR,
author = "W. Wu and Q. Zhang",
title = "The Orthogonal and the Natural Representation for
Symmetric Groups",
journal = j-IJQC,
volume = "50",
number = "1",
pages = "55--??",
day = "15",
month = mar,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Palafox:1994:ESC,
author = "M. A. Palafox",
title = "Eclipsed and Staggered Conformations of {$({\rm
SiH}_3)_2F^+$}: An Ab Initio Study",
journal = j-IJQC,
volume = "50",
number = "1",
pages = "69--90",
day = "15",
month = mar,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Fang:1994:ISM,
author = "D.-C. Fang and X.-Y. Fu",
title = "Ab Initio Studies on the Mechanism of the
Cycloaddition Reaction Between Ketene and Allene",
journal = j-IJQC,
volume = "50",
number = "2",
pages = "93--??",
day = "5",
month = apr,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Mancini:1994:APC,
author = "J. D. Mancini and Y. Zhou and P. F. Meier",
title = "Analytic Properties of Connected Moments Expansions",
journal = j-IJQC,
volume = "50",
number = "2",
pages = "101--??",
day = "5",
month = apr,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Tokiwa:1994:OSH,
author = "H. Tokiwa and H. Ichikawa",
title = "Origin of Steric Hindrance in Ethane",
journal = j-IJQC,
volume = "50",
number = "2",
pages = "109--??",
day = "5",
month = apr,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Nunez:1994:NCB,
author = "M. A. Nunez",
title = "Numerical Computation of Bounded States for
{Schr{\"o}dinger} Operators",
journal = j-IJQC,
volume = "50",
number = "2",
pages = "113--??",
day = "5",
month = apr,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Cave:1994:CED,
author = "R. J. Cave and J. L. Johnson and M. A. Anderson",
title = "Calculation of Electric Dipole Transition Moments
Using Quasi-Degenerate Variational Perturbation Theory
and Averaged Coupled-Pair Functional Theory",
journal = j-IJQC,
volume = "50",
number = "2",
pages = "135--??",
day = "5",
month = apr,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Wetzel:1994:ISI,
author = "T. L. Wetzel and R. Shorrosh and R. F. Borkman",
title = "Ab Initio Study of the Inversion Barrier in
{NF$^+_3$}",
journal = j-IJQC,
volume = "50",
number = "2",
pages = "151--??",
day = "5",
month = apr,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Hameka:1994:TPI,
author = "H. F. Hameka and J. O. Jensen",
title = "Theoretical Prediction of the Infrared and {Raman}
Spectra of {O}-ethyl
{S-2-diisopropylaminoethylmethylphosphonothiolate}",
journal = j-IJQC,
volume = "50",
number = "2",
pages = "161--??",
day = "5",
month = apr,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Li:1994:QCS,
author = "Q. S. Li and F. L. Gu and A. C. Tang",
title = "Quantum Chemistry Study on {B}$_1$4, {B}$^{2-}_1$4,
and {B$_1$4H$^{2-}_1$4}",
journal = j-IJQC,
volume = "50",
number = "3",
pages = "173--??",
day = "15",
month = apr,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Shcheka:1994:QCS,
author = "O. L. Shcheka and N. V. Dobrodey and T. B. Emelina",
title = "Quantum Chemical Study of Catalysts Based on Oxides of
Transition Metals",
journal = j-IJQC,
volume = "50",
number = "3",
pages = "181--??",
day = "15",
month = apr,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Rincon:1994:AMP,
author = "L. Rincon",
title = "Aromaticity in Metallacyclobutadienes from the
Perspective of the Valence Bond Theory",
journal = j-IJQC,
volume = "50",
number = "3",
pages = "189--??",
day = "15",
month = apr,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Wang:1994:OBE,
author = "X.-Y. Wang",
title = "Orbital Binding Effect in Molecular Orbital Theory",
journal = j-IJQC,
volume = "50",
number = "3",
pages = "197--??",
day = "15",
month = apr,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Gould:1994:QSP,
author = "M. D. Gould and J. Paldus and J. Cizek",
title = "Quasi-Spin and the Pseudo-Orthogonal Group in the
{Hubbard} Model",
journal = j-IJQC,
volume = "50",
number = "3",
pages = "207--??",
day = "15",
month = apr,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ming:1994:BSD,
author = "L. Ming",
title = "Band Structures of {${\rm A}_1$} Doped Superconductors
{${\rm YBa}_2{\rm Cu}_{3-x}{\rm Al}_x{\rm
O}_{7+\delta}$}",
journal = j-IJQC,
volume = "50",
number = "4",
pages = "233--??",
day = "5",
month = may,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Duch:1994:MSC,
author = "W. Duch and J. Meller",
title = "On Multireference Superdirect Configuration
Interaction in Third Order",
journal = j-IJQC,
volume = "50",
number = "4",
pages = "243--??",
day = "5",
month = may,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Politzer:1994:ACS,
author = "P. Politzer and J. S. Murray and J. M. Seminario",
title = "Antiaromaticity to {1,3,5,7-Cyclooctatetraene}
Structures",
journal = j-IJQC,
volume = "50",
number = "4",
pages = "273--??",
day = "5",
month = may,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Minaev:1994:CII,
author = "B. F. Minaev and S. Lunell and G. I. Kobzev",
title = "Collision-Induced Intensity of the
{b$^1\Sigma^+_g-a^1\Delta_g$} Transition in Molecular
Oxygen: Model Calculations for the Collision Complex
{${\rm O}_2+{\rm H}_2$}",
journal = j-IJQC,
volume = "50",
number = "4",
pages = "279--??",
day = "5",
month = may,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Bernotas:1994:SQC,
author = "A. Bernotas and J. Kaniauskas",
title = "Second Quantization and Coefficients of Fractional
Parentage",
journal = j-IJQC,
volume = "50",
number = "4",
pages = "293--??",
day = "5",
month = may,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Sauer:1994:CPP,
author = "S. P. A. Sauer and J. Oddershede",
title = "Correlated Polarization Propagator Calculations of
Static Polarizabilities",
journal = j-IJQC,
volume = "50",
number = "5",
pages = "317--??",
day = "15",
month = may,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Pohl:1994:EEN,
author = "A. Pohl and H. Taylor and J.-L. Calais",
title = "{END} (Electron Nuclear Dynamics) with the Hydrogen
Molecule Used as a Model Problem",
journal = j-IJQC,
volume = "50",
number = "5",
pages = "333--??",
day = "15",
month = may,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Jankowski:1994:MSS,
author = "K. Jankowski and K. Kowalski and P. Jankowski",
title = "Multiple Solutions of the Single-Reference
Coupled-Cluster Equations. {I}. {H$_4$} Model
Revisited",
journal = j-IJQC,
volume = "50",
number = "5",
pages = "353--??",
day = "15",
month = may,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Klein:1994:CCP,
author = "D. J. Klein and M. Randi{\'c} and D. Babi{\'c} and N.
Trinajsti{\'c}",
title = "On Conjugated-Circuit Polynomials",
journal = j-IJQC,
volume = "50",
number = "5",
pages = "369--384",
day = "15",
month = may,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Backer:1994:RST,
author = "T. Backer and M. Klessinger and M. Eckert-Makosic and
Z. B. Maksic",
title = "The Relative Stability of the Tautomers of
alpha-Hydroxytetronic Acid",
journal = j-IJQC,
volume = "50",
number = "6",
pages = "385--??",
day = "5",
month = jun,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Bian:1994:DSMa,
author = "W. Bian and C. Deng",
title = "Direct Solution of the Many-Body {Schr{\"o}dinger}
Equation in the Hyperspherical Formalism: Application
of the {HH-GLF} Method to the Positronium Ion e + e ---
e+",
journal = j-IJQC,
volume = "50",
number = "6",
pages = "395--??",
day = "5",
month = jun,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Bianchi:1994:QMC,
author = "R. Bianchi and D. Bressanini and P. Cremaschi and M.
Mella and G. Morosi",
title = "A Quantum {Monte Carlo} Simulation of the
Two-Dimensional {H}$_2$ Molecule",
journal = j-IJQC,
volume = "50",
number = "6",
pages = "401--??",
day = "5",
month = jun,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lavin:1994:RQD,
author = "C. Lavin and C. Barrientos and I. Martin",
title = "Relativistic Quantum Defect Calculations on the Copper
Isoelectronic Sequence",
journal = j-IJQC,
volume = "50",
number = "6",
pages = "411--??",
day = "5",
month = jun,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Zicovich-Wilson:1994:SCS,
author = "C. Zicovich-Wilson and J. H. Planelles and W.
Jask{\'o}lski",
title = "Spatially Confined Simple Quantum Mechanical Systems",
journal = j-IJQC,
volume = "50",
number = "6",
pages = "429--??",
day = "5",
month = jun,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Blanke:1994:NNE,
author = "G. Blanke and H. Kleindienst",
title = "Nonadiabatic {NO} Expansions for the Ground State Wave
Function of {H}$^+_2$",
journal = j-IJQC,
volume = "51",
number = "1",
pages = "3--??",
day = "15",
month = jun,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Bendazzoli:1994:FCI,
author = "G. L. Bendazzoli and S. Evangelisti and L. Gagliardi",
title = "Full Configuration Interaction Study of the Ground
State of Closed-Shell Cyclic {PPP} Polyenes",
journal = j-IJQC,
volume = "51",
number = "1",
pages = "13--??",
day = "15",
month = jun,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Yamamoto:1994:ICC,
author = "Y. Yamamoto and T. Noro and K. Ohno",
title = "Ab Initio {CI} Calculation on Benzene with an Extended
Basis Set",
journal = j-IJQC,
volume = "51",
number = "1",
pages = "27--??",
day = "15",
month = jun,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ekholm:1994:TIS,
author = "M. Ekholm and Konschin",
title = "A Theoretical Investigation of Some Novel Pilocarpine
Prodrugs",
journal = j-IJQC,
volume = "51",
number = "1",
pages = "35--??",
day = "15",
month = jun,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Thu Jan 04 11:44:24 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Chang:1994:EQF,
author = "J. Chang and N. J. Brown",
title = "Erratum: Quantumn Functional Sensitivity Analysis for
the {3-D} ({J} = {O}) {H} + {H}$_2$",
journal = j-IJQC,
volume = "51",
number = "1",
pages = "53--??",
day = "15",
month = jun,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Nunez:1994:ACE,
author = "M. A. Nu{\~n}ez",
title = "Accurate Computation of Eigenfunctions for Screened
{Coulomb} Potentials",
journal = j-IJQC,
volume = "51",
number = "2",
pages = "57--??",
day = "5",
month = jul,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ghosh:1994:ILD,
author = "S. K. Ghosh and B. M. Deb",
title = "Improved Local Density Functional Approach for Atomic
Systems",
journal = j-IJQC,
volume = "51",
number = "2",
pages = "79--??",
day = "5",
month = jul,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Aiga:1994:FDH,
author = "F. Aiga and K. Sasagane and R. Itoh",
title = "Frequency-Dependent Hyperpolarizabilities in the
{Brueckner} Coupled-Cluster Theory",
journal = j-IJQC,
volume = "51",
number = "2",
pages = "87--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ray:1994:AHC,
author = "N. K. Ray and R. C. Rastogi",
title = "Activation Hardness and Cycloadditions of Even Linear
Polyenes",
journal = j-IJQC,
volume = "51",
number = "2",
pages = "99--??",
day = "5",
month = jul,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Tewari:1994:PIC,
author = "R. Tewari",
title = "Protonation-Induced Conformational Flipping in
Hypermodified Nucleic Acid Base
{N}$^6$-({$N$}-glycylcarbonyl) Adenine",
journal = j-IJQC,
volume = "51",
number = "2",
pages = "105--??",
day = "5",
month = jul,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Schork:1994:CEE,
author = "T. Schork and P. Fulde",
title = "Calculating Excitations Energies with the Help of
Cumulants",
journal = j-IJQC,
volume = "51",
number = "3",
pages = "113--??",
day = "15",
month = jul,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Wlodarz:1994:SDP,
author = "J. J. Wlodarz",
title = "Self-dual Phase-Space Representation of Quantum
Mechanics and the Variational Principle",
journal = j-IJQC,
volume = "51",
number = "3",
pages = "123--??",
day = "15",
month = jul,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Rivas-Silva:1994:HAG,
author = "J. F. Rivas-Silva",
title = "The Helium Atom in Its Ground State Embedded in Strong
Magnetic Fields",
journal = j-IJQC,
volume = "51",
number = "3",
pages = "135--??",
day = "15",
month = jul,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Palafox:1994:DFD,
author = "M. A. Palafox and N. Iza and M. Gil",
title = "Dimer Form of 1,3-Dimethyluracil Studied by the {AM1}
Semiempirical Method",
journal = j-IJQC,
volume = "51",
number = "3",
pages = "141--??",
day = "15",
month = jul,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Mulholland:1994:CSI,
author = "A. J. Mulholland and W. G. Richards",
title = "A Comparison of Semiempirical and Ab Initio Transition
States for {HF} Elimination in Unimolecular
Decompositions",
journal = j-IJQC,
volume = "51",
number = "3",
pages = "161--??",
day = "15",
month = jul,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Tyutyulkov:1994:BGA,
author = "N. Tyutyulkov and F. Dietz and D. J. Klein and W. A.
Seitz and T. G. Schmalz",
title = "The Band Gap of Alternant {1D} $\pi$-Electron
Systems",
journal = j-IJQC,
volume = "51",
number = "3",
pages = "173--??",
day = "15",
month = jul,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Mezey:1994:SMB,
author = "P. G. Mezey",
title = "Semisimilarity of Molecular Bodies: Scaling-Nesting
Similarity Measures",
journal = j-IJQC,
volume = "51",
number = "4 (or 5??)",
pages = "255--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kawabe:1994:PIA,
author = "H. Kawabe and K. Nishikawa and S. Aono",
title = "Path Integral Approach to Correlation Energy",
journal = j-IJQC,
volume = "51",
number = "4 (or 5??)",
pages = "265--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Bian:1994:DSMb,
author = "W. Bian and C. Deng",
title = "Direct Solution of the Many-Body {Schr{\"o}dinger}
Equation in the Hyperspherical Formalism: Formulation
of the {CFHH-GLF} Method",
journal = j-IJQC,
volume = "51",
number = "4",
pages = "285--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Dutta:1994:ECR,
author = "P. Dutta and S. P. Bhattacharyya",
title = "On Exact Calculation of Response Properties of
Oscillators in Static Electric Field: {A} {Fourier}
Grid {Hamiltonian} Approach. {I}. One-Dimensional
Systems",
journal = j-IJQC,
volume = "51",
number = "4 (or 5??)",
pages = "293--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Jaszunski:1994:LRC,
author = "M. Jaszunski",
title = "Linear Response Calculation of Potential Energy Curves
of {BH}",
journal = j-IJQC,
volume = "51",
number = "4 (or 5??)",
pages = "307--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Burk:1994:TSS,
author = "P. Burk and I. Koppel",
title = "Theoretical Study of Structure and Basicity of Some
Alkali Metal Oxides, Hydroxides, and Amides",
journal = j-IJQC,
volume = "51",
number = "4 (or 5??)",
pages = "313--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Razafinjanahary:1994:IMT,
author = "H. Razafinjanahary and R. Rogemond and H. Chermette",
title = "Incidence of the Muffin-Tin Approximation on the
Electronic Structure of Large Clusters Calculated by
the {MS-LSD} Method: The Typical Case of {${\rm
C}_{60}$}",
journal = j-IJQC,
volume = "51",
number = "4 (or 5??)",
pages = "319--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Iyakutti:1994:ECT,
author = "K. Iyakutti and R. R. Palanichamy",
title = "Electron Crystallization in Two Dimensions",
journal = j-IJQC,
volume = "51",
number = "4 (or 5??)",
pages = "329--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Santhosh:1994:EPE,
author = "C. Santhosh and P. C. Mishra",
title = "Electrostatic Potential and Electric Field Mapping of
Some Sweeteners of the Suosan Series: {A} Search for
the Structure-Activity Relationship",
journal = j-IJQC,
volume = "51",
number = "4 (or 5??)",
pages = "335--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Bian:1994:DSMc,
author = "W. Bian and C. Deng",
title = "Direct Solution of the Many-Body {Schr{\"o}dinger}
Equation in the Hyperspherical Formalism: Formulation
of the {CFHH-GLF} Method",
journal = j-IJQC,
volume = "51",
number = "5",
pages = "285--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Bouferguene:1994:SCA,
author = "A. Bouferguene and M. Fares",
title = "Some Convergence Aspects of the One-Center Expansion
Methods",
journal = j-IJQC,
volume = "51",
number = "6",
pages = "345--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Cecilia:1994:NPE,
author = "J. Cecilia and J. Galceran and J. Salvador and J.
Puy",
title = "Numerical Procedures in Electrochemical Simulation",
journal = j-IJQC,
volume = "51",
number = "6",
pages = "357--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Colmenero:1994:SCA,
author = "F. Colmenero and C. Valdemoro",
title = "Self-Consistent Approximate Solution of the
Second-Order Contracted {Schr{\"o}dinger} Equation",
journal = j-IJQC,
volume = "51",
number = "6",
pages = "369--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{VanDoren:1994:SCS,
author = "V. E. {Van Doren} and P. E. {Van Camp} and G.
Straub",
title = "Self-Consistent Second-Order Screening in Many-Body
Theory",
journal = j-IJQC,
volume = "51",
number = "6",
pages = "389--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{GarciadelaVega:1994:OES,
author = "J. M. {Garcia de la Vega} and B. Miguel",
title = "Orbitals Expanded in {Slater} Functions with
Single-Exponent by Shell and by Subshell",
journal = j-IJQC,
volume = "51",
number = "6",
pages = "397--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Janezic:1994:IMM,
author = "D. Janezic and B. Orel",
title = "Improvement of Methods for Molecular Dynamics
Intergration",
journal = j-IJQC,
volume = "51",
number = "6",
pages = "407--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Jones:1994:DMM,
author = "H. W. Jones",
title = "Developments in Multicenter Molecular Integrals over
{STOs} Using Expansions in Spherical Harmonics",
journal = j-IJQC,
volume = "51",
number = "6",
pages = "417--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Karwowski:1994:STS,
author = "J. Karwowski",
title = "Statistical Theory of Spectra",
journal = j-IJQC,
volume = "51",
number = "6",
pages = "425--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Konarski:1994:NMM,
author = "J. Konarski",
title = "A New Model of a Molecule Based on the Soft Body",
journal = j-IJQC,
volume = "51",
number = "6",
pages = "439--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kutzelnigg:1994:TEW,
author = "W. Kutzelnigg",
title = "Theory of the Expansion of Wave Functions in a
{Gaussian} Basis",
journal = j-IJQC,
volume = "51",
number = "6",
pages = "447--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lefebvre:1994:TRR,
author = "R. Lefebvre and N. Moiseyev and V. Ryaboy",
title = "Thermal Reaction Rates with a Two-Point Flux-Flux
Correlation Function",
journal = j-IJQC,
volume = "51",
number = "6",
pages = "465--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lowdin:1994:SCP,
author = "P.-O. L{\"o}wdin",
title = "Some Current Problems in Theoretical Chemical Physics
to be Solved",
journal = j-IJQC,
volume = "51",
number = "6",
pages = "473--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Mas:1994:SPS,
author = "V. Mas and J. Planelles and J. Karwowski and R.
Rajadell",
title = "Statistical Properties of Spin-Adapted Reduced
{Hamiltonians}",
journal = j-IJQC,
volume = "51",
number = "6",
pages = "487--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Micha:1994:TRE,
author = "D. A. Micha",
title = "Temporal Rearrangement of Electronic Densities in Slow
Atomic Collisions",
journal = j-IJQC,
volume = "51",
number = "6",
pages = "499--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Nagaoka:1994:MTS,
author = "M. Nagaoka and Y. Okuno and N. Yoshida and T. Yamabe",
title = "A Microscopic Theory for Solution Chemical Reactions:
Introduction of Reactant and Medium Structures into
Generalized {Langevin} Equation Formalism",
journal = j-IJQC,
volume = "51",
number = "6",
pages = "519--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Nicolaides:1994:MEM,
author = "C. A. Nicolaides and T. Mercouris and Y. Komninos and
I. D. Petsalakis",
title = "Many-Electron, Many-Photon Theory of Nonstationary
States",
journal = j-IJQC,
volume = "51",
number = "6",
pages = "529--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Pipek:1994:MCS,
author = "J. Pipek and I. Varga",
title = "Mathematical Characterization and Shape Analysis of
Localized, Fractal, and Complex Distributions in
Extended Systems",
journal = j-IJQC,
volume = "51",
number = "6",
pages = "539--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Polavieja:1994:QPS,
author = "G. G. De Polavieja and F. Borondo and R. M. Benito",
title = "Quantum Phase-Space Densities for a Quartic
Oscillator",
journal = j-IJQC,
volume = "51",
number = "6",
pages = "555--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Tkacz-Smiech:1994:FDP,
author = "K. Tkacz-Smiech and W. S. Ptak and A. Kolezynski and
J. Mrugalski",
title = "Functional Derivative {E/p} in Calculation of Chemical
Potential for the {Kohn--Sham} Electronic System",
journal = j-IJQC,
volume = "51",
number = "6",
pages = "569--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat May 17 17:58:32 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Alemany:1994:CSS,
author = "P. Alemany and J. J. Novoa and L. Bengtsson",
title = "A Comparative Study on the Structure of {M$_2$Se} and
{M$_2$I0}$^+$ ({M} = {Ag}, {Au}) Using Pseudopotentials
and Full Ab Initio Methods",
journal = j-IJQC,
volume = "52",
number = "1",
pages = "1--??",
day = "15",
month = sep,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Apr 24 09:36:42 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Andres:1994:VSE,
author = "J. L. Andres and J. Bertran and M. Duran and J.
Marti",
title = "Vibrational {Stark} Effect and Vibrational Static
Electric Properties of {N$_2$O}",
journal = j-IJQC,
volume = "52",
number = "1",
pages = "9--??",
day = "15",
month = sep,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Apr 24 09:36:42 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Angyan:1994:CAM,
author = "J{\'a}nos G. {\'A}ngy{\'a}n and Christophe Chipot",
title = "A Comprehensive Approach to Molecular Charge Density
Models: From Distributed Multipoles to Fitted Atomic
Charges",
journal = j-IJQC,
volume = "52",
number = "1",
pages = "17--37",
day = "15",
month = sep,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Apr 24 09:36:42 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Beljonne:1994:TET,
author = "D. Beljonne and Z. Shuai and J. L. Br{\'e}das",
title = "Theoretical Evolution of the Third-Order Molecular
Polarizabilities as a Function of Chain Length in
Thiophene and Pyrrole Oligomers",
journal = j-IJQC,
volume = "52",
number = "1",
pages = "39--??",
day = "15",
month = sep,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Apr 24 09:36:42 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Broeckhove:1994:AGS,
author = "J. Broeckhove and W. Keutgens and L. Lathouwers and P.
{Van Leuven}",
title = "Application of the {GCA} to a Series of Curve Crossing
Topologies",
journal = j-IJQC,
volume = "52",
number = "1",
pages = "49--??",
day = "15",
month = sep,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Apr 24 09:36:42 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Couty:1994:DEO,
author = "M. Couty and B. Levy",
title = "On the Determination of Effective One-Electron
{Hamiltonians} to be Used for Studying Large
Molecules",
journal = j-IJQC,
volume = "52",
number = "1",
pages = "59--??",
day = "15",
month = sep,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Apr 24 09:36:42 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Daniel:1994:DPR,
author = "C. Daniel and M. C. Heitz and L. Lehr and T.
Schroeder",
title = "Dynamics of Photochemical Reactions: Simulation by
Quantum Calculations for Transition Metal Hydrides",
journal = j-IJQC,
volume = "52",
number = "1",
pages = "71--??",
day = "15",
month = sep,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Apr 24 09:36:42 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Dehu:1994:TSC,
author = "C. Dehu and J. L. Br{\'e}das",
title = "Theoretical Study of the Conjugation Length Effect on
the Electronic and Second-Order Nonlinear Optical
Properties of Amino-Nitro Diphenylacetylenes",
journal = j-IJQC,
volume = "52",
number = "1",
pages = "89--??",
day = "15",
month = sep,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Apr 24 09:36:42 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Fortunelli:1994:ICI,
author = "A. Fortunelli",
title = "Ab Initio Calculations of Isotropic Hyperfine Coupling
Constants in -Ketoenolyl Radicals",
journal = j-IJQC,
volume = "52",
number = "1",
pages = "97--??",
day = "15",
month = sep,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Apr 24 09:36:42 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Hu:1994:MCC,
author = "Z.-M. Hu and C.-G. Zhan",
title = "{MBOHO} Calculations of {C-H} Stretching Frequencies
in Hydrocarbons and Heterosubstituted Hydrocarbons",
journal = j-IJQC,
volume = "52",
number = "1",
pages = "109--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Apr 24 09:36:42 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Jenichen:1994:ICR,
author = "A. Jenichen",
title = "Ab Initio Calculations to the Reactions of {HF} and
{HCl} with {Si(OH)$_4$} and {(HO)$_3$} {SiOSi(OH)$_3$}:
Modeling of {SiO$_2$} Etching Reactions",
journal = j-IJQC,
volume = "52",
number = "1",
pages = "117--??",
day = "15",
month = sep,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Apr 24 09:36:42 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Kapuy:1994:AMB,
author = "E. Kapuy and F. Bogar and E. Tfirst",
title = "Application of Many-Body Perturbation Theory in the
Localized Representation for the All-trans Conjugated
Polyenes",
journal = j-IJQC,
volume = "52",
number = "1",
pages = "127--??",
day = "15",
month = sep,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Apr 24 09:36:42 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lunell:1994:CPS,
author = "S. Lunell and C. Enkvist and M. Agback and S.
Svensson",
title = "Core Photoionization Satellites in Fullerene and
Related Model Systems",
journal = j-IJQC,
volume = "52",
number = "1",
pages = "135--??",
day = "15",
month = sep,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Apr 24 09:36:42 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Mezei:1994:IEC,
author = "M. Mezei",
title = "Iso-Energy Cutoff for the Calculation of Interionic
Potential of Mean Force in Water",
journal = j-IJQC,
volume = "52",
number = "1",
pages = "147--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Apr 24 09:36:42 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Raynes:1994:NSS,
author = "W. T. Raynes and J. Geertsen and J. Oddershede",
title = "Nuclear Spin-Spin Coupling and Nuclear Motion",
journal = j-IJQC,
volume = "52",
number = "1",
pages = "153--??",
day = "15",
month = sep,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Apr 24 09:36:42 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Requena:1994:VHM,
author = "A. Requena and M. Alacid and A. Bastida and J.
Zuthiga",
title = "A Vibrational {Hamiltonian} Model for Triatomic
Molecules Based on the {Kratzer} and {Poschl} {Teller}
Potentials",
journal = j-IJQC,
volume = "52",
number = "1",
pages = "165--??",
day = "15",
month = sep,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Apr 24 09:36:42 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Rovira:1994:TSS,
author = "C. Rovira and P. Constans and M.-H. Whangbo and J. J.
Novoa",
title = "Theoretical Study of the Structure and Vibrational
Spectra of the {(H$_2$O)$_2$} {HF} and {H$_2$O}
{(HF)$_2$} Molecular Complexes",
journal = j-IJQC,
volume = "52",
number = "1",
pages = "177--??",
day = "15",
month = sep,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Apr 24 09:36:42 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Schwalm:1994:TIE,
author = "O. Schwalm and J. Weber and B. Minder and A. Baiker",
title = "Theoretical Investigation of the Enantioselective
Hydrogenation of $\alpha$-Ketoesters over {Pt}\slash
Alumina Modified with Cinchonidine",
journal = j-IJQC,
volume = "52",
number = "1",
pages = "191--??",
day = "15",
month = sep,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Apr 24 09:36:42 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Sutjianto:1994:SSB,
author = "A. Sutjianto and R. Pandey and J. M. Recio",
title = "Structure and Stability of {BN} Microclusters: Ab
Initio Calculations for {(BN)$_n$, $(n = 2 - 4)$}",
journal = j-IJQC,
volume = "52",
number = "1",
pages = "199--??",
day = "15",
month = sep,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Apr 24 09:36:42 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Urban:1994:AMP,
author = "M. Urban and J. D. Watts and R. J. Bartlett",
title = "On the Accuracy of Molecular Properties by
Coupled-Cluster Methods for Some Difficult Examples:
Oxygen Atom, Iron Atom, and Cyano Radical",
journal = j-IJQC,
volume = "52",
number = "1",
pages = "211--??",
day = "15",
month = sep,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Apr 24 09:36:42 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Zuelicke:1994:IDS,
author = "L. Zuelicke and C. Zuhrt and X. Chapuisat and C.
Saint-Espes",
title = "Internal Dynamics of Simple Floppy Molecules",
journal = j-IJQC,
volume = "52",
number = "1",
pages = "227--??",
day = "15",
month = sep,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Apr 24 09:36:42 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{March:1994:RBMa,
author = "N. H. March",
title = "The Role of the Bond Midpoint Electron Density in
Homonuclear Molecular Binding",
journal = j-IJQC,
volume = "52",
number = "1",
pages = "247--??",
day = "15",
month = sep,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Apr 24 09:36:42 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Aoki:1994:DFE,
author = "Y. Aoki and S. Suhai and A. Imamura",
title = "A Density Functional Elongation Method for the
Theoretical Synthesis of Aperiodic Polymers",
journal = j-IJQC,
volume = "52",
number = "2",
pages = "267--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Casanovas:1994:CEG,
author = "J. Casanovas and A. Lorda and C. Sousa and F. Illas",
title = "Character of the Electronic Ground State and of
Charge-Transfer Excited States in Ionic Solids: An Ab
Initio Cluster Model Approach",
journal = j-IJQC,
volume = "52",
number = "2",
pages = "281--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Evarestov:1994:QCC,
author = "R. A. Evarestov and I. I. Tupitsin and V. A.
Veryazov",
title = "Quantum Chemical Calculation of Nickel and Copper
Atomic Valencies in Crystalline Oxides",
journal = j-IJQC,
volume = "52",
number = "2",
pages = "295--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Gadomski:1994:SRC,
author = "A. Gadomski and J. Luczka",
title = "Some Remarks Concerning Spherulitic Growth",
journal = j-IJQC,
volume = "52",
number = "2",
pages = "301--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Imamura:1994:CES,
author = "A. Imamura and Y. Aoki and K. Nishimoto and Y.
Kurihara",
title = "Calculations of the Electronic Structure of Various
Aperiodic Polymers by an Elongation Method",
journal = j-IJQC,
volume = "52",
number = "2",
pages = "309--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kolezynski:1994:ECF,
author = "A. Kolezynski and W. S. Ptak and K. Tkacz-Smiech",
title = "Effective Crystal Field Approach to the Binding Energy
Calculation of Alkaline Metals",
journal = j-IJQC,
volume = "52",
number = "2",
pages = "321--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kuprievich:1994:ACD,
author = "V. A. Kuprievich",
title = "Alternating Charge Densities, {Peierls} Distortion,
and Charge-Conjugation Symmetry in Correlated
One-Dimensional Diatomic Systems",
journal = j-IJQC,
volume = "52",
number = "2",
pages = "329--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lee:1994:SDL,
author = "S.-L. Lee and C.-K. Lee",
title = "Simulation of Diffusion-Limited Aggregation and
Reactions Over Its Surfaces",
journal = j-IJQC,
volume = "52",
number = "2",
pages = "339--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Otto:1994:RDT,
author = "P. Otto",
title = "Recent Developments in the Theoretical Design of
Low-Gap Polymers and Their Nonlinear Optical
Properties",
journal = j-IJQC,
volume = "52",
number = "2",
pages = "353--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ruiz:1994:ESP,
author = "E. Ruiz and S. Alvarez and P. Alemany",
title = "Electronic Structure and Properties of Hexagonal
Wurtzite-type {SiC}",
journal = j-IJQC,
volume = "52",
number = "2",
pages = "365--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Sagues:1994:DGS,
author = "F. Sagues and L. Lopez-Tomas and J. Mach and R.
Reigada",
title = "Disordered Grown Systems: Generation and Fractal
Analysis Electrodeposition",
journal = j-IJQC,
volume = "52",
number = "2",
pages = "375--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Suhai:1994:CEC,
author = "S. Suhai",
title = "Cooperativity and Electron Correlation Effects on
Hydrogen Bonding in Infinite Systems",
journal = j-IJQC,
volume = "52",
number = "2",
pages = "395--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ukrainskii:1994:ECP,
author = "I. I. Ukrainskii",
title = "Electron Correlations and Pairing in Low-Dimensional
Systems",
journal = j-IJQC,
volume = "52",
number = "2",
pages = "413--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Wallace:1994:SMT,
author = "D. C. Wallace",
title = "Statistical Mechanical Theory of Liquid Entropy",
journal = j-IJQC,
volume = "52",
number = "2",
pages = "425--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Winkler:1994:MDS,
author = "R. G. Winkler and A. Gerstmair and P. Reineker and T.
Matsuda",
title = "Molecular Dynamics Simulations of $n$-Alkane Melts
Confined Between Solid Surfaces",
journal = j-IJQC,
volume = "52",
number = "2",
pages = "437--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Borstnik:1994:CCD,
author = "B. Borstnik",
title = "The Character of the Correlations in {DNA} Sequences",
journal = j-IJQC,
volume = "52",
number = "2",
pages = "457--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kieninger:1994:DFS,
author = "M. Kieninger and S. Suhai",
title = "Density Functional Studies on Hydrogen-Bonded
Complexes",
journal = j-IJQC,
volume = "52",
number = "2",
pages = "465--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Mikami:1994:EEM,
author = "Y. Mikami",
title = "Evaluation of Electronic Matrix Elements of Long-Range
Electron Transfer in Proteins by the Recursive Residue
Generation Method",
journal = j-IJQC,
volume = "52",
number = "2",
pages = "479--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ye:1994:THC,
author = "Y.-Y. Ye and J. Ladik",
title = "Theory of Hopping Conductivity of Proteins",
journal = j-IJQC,
volume = "52",
number = "2",
pages = "491--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Decleva:1994:CWL,
author = "P. Decleva and M. Brosolo and A. Lisini and M.
Venuti",
title = "Continuum Wavefunctions by Least-Squares Scheme in a
{B}-Spline Basis: Multicenter and Multielectron
Formulations",
journal = j-IJQC,
volume = "52",
number = "2",
pages = "507--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Gauntes:1994:OCC,
author = "R. Gauntes and F. Borondo and C. Jaffe and S.
Miret-Artes",
title = "The Onset of Classical Chaos in Atom-Surface
Scattering",
journal = j-IJQC,
volume = "52",
number = "2",
pages = "515--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lisini:1994:TSM,
author = "A. Lisini and G. Fronzoni and P. Decleva",
title = "Theoretical Study of Many-Body Effects in the
Photoelectron Spectra of Unsaturated Hydrocarbons",
journal = j-IJQC,
volume = "52",
number = "2",
pages = "527--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Jan 05 06:14:50 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lisini:1994:CEP,
author = "A. Lisini and P. Decleva",
title = "Calculation of Excitation and Photoionization Spectra
by Quasi-Degenerate Perturbation Theory",
journal = j-IJQC,
volume = "52",
number = "2",
pages = "549--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Surjan:1994:ICB,
author = "P. R. Surjan",
title = "The Interaction of Chemical Bonds. {III}. Perturbed
Strictly Localized Geminals in {LMO} Basis",
journal = j-IJQC,
volume = "52",
number = "2",
pages = "563--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ichikawa:1994:ACP,
author = "H. Ichikawa and H. Kagawa",
title = "Analysis of Chemical Phenomena by Solving Constrained
{Hartree--Fock} Equation. {I}. Method and Application
to Resonance Energy in Linear Polyenes",
journal = j-IJQC,
volume = "52",
number = "3",
pages = "575--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lai:1994:CAF,
author = "S.-T. Lai",
title = "Computation of Algebraic Formulas for {Wigner} 3-j,
6-j, and 9-j Symbols by {Maple}",
journal = j-IJQC,
volume = "52",
number = "3",
pages = "593--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Marathon:1994:PIS,
author = "J. Marathon",
title = "Path Integral's Semiclassical Quantification",
journal = j-IJQC,
volume = "52",
number = "3",
pages = "609--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Mola:1994:PBM,
author = "E. E. Mola and C. A. Paola and J. L. Vicente",
title = "Potential-Barrier Model at Metal Surfaces: Thin Films
and Its Dependence on the Film Thickness",
journal = j-IJQC,
volume = "52",
number = "3",
pages = "617--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Mallik:1994:SQR,
author = "B. Mallik and S. N. Datta",
title = "Semiempirical Quantum $f$ Reduction Potentials of
Quinone and Plastoquinone in Water",
journal = j-IJQC,
volume = "52",
number = "3",
pages = "629--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat May 17 17:55:37 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Rioseras-Garcia:1994:TCS,
author = "M. J. Rioseras-Garcia and J. M. Hernando-Huelmo",
title = "Theoretical Conformational Study of the Stabilities
and Geometries of [2,2] (2,7)
naphthalenophane-1,11-diene and Related Compounds",
journal = j-IJQC,
volume = "52",
number = "3",
pages = "651--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Liang:1994:ESO,
author = "X. L. Liang and D. E. Ellis and O. V. Gubanova and B.
M. Hoffman",
title = "Electronic Structure and Optical Properties of a
Tin-Encapsulated Nickel Porphyrazine Compound",
journal = j-IJQC,
volume = "52",
number = "3",
pages = "657--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Li:1994:CSN,
author = "J. Li and J. Feng and C. Sun",
title = "Calculations on the Spectra and Nonlinear Third-Order
Optical Susceptibility of {C$_{70}$}",
journal = j-IJQC,
volume = "52",
number = "3",
pages = "673--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Rabinowitz:1994:CQM,
author = "J. R. Rabinowitz and S. B. Little",
title = "Comparison of Quantum Mechanical Methods to Compute
the Biologically Relevant Reactivities of
Cyclopenta-Polycyclic Aromatic Hydrocarbons",
journal = j-IJQC,
volume = "52",
number = "3",
pages = "681--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Abashkin:1994:TSE,
author = "Y. Abashkin and N. Russo and M. Toscano",
title = "Transition States and Energy Barriers from Density
Functional Studies: Representative Isomerization
Reactions",
journal = j-IJQC,
volume = "52",
number = "4",
pages = "695--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Fortunelli:1994:AIO,
author = "A. Fortunelli and O. Salvetti",
title = "An Analysis of the Integrand Occurring in Correlation
Energy Functionals",
journal = j-IJQC,
volume = "52",
number = "4",
pages = "705--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{VanLeeuwen:1994:AND,
author = "R. {Van Leeuwen} and E. J. Baerends",
title = "An Analysis of Nonlocal Density Functionals in
Chemical Bonding",
journal = j-IJQC,
volume = "52",
number = "4",
pages = "711--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Deng:1994:DIR,
author = "L. Deng and T. Ziegler",
title = "The Determination of Intrinsic Reaction Coordinates by
Density Functional Theory",
journal = j-IJQC,
volume = "52",
number = "4",
pages = "731--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Mathanes:1994:MFE,
author = "A. Mathanes and M. Membrado and A. F. Pacheco and J.
Sathudo",
title = "A Mass Formula for the Energy of Metal Clusters",
journal = j-IJQC,
volume = "52",
number = "4",
pages = "767--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Goursot:1994:NGD,
author = "A. Goursot and I. Papai and C. A. Daul",
title = "Numerical Grids For Density Functional Calculations of
Molecular Properties",
journal = j-IJQC,
volume = "52",
number = "4",
pages = "799--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Sukumar:1994:DFT,
author = "N. Sukumar",
title = "Density Functional Theory for {Jahn--Teller} Systems",
journal = j-IJQC,
volume = "52",
number = "4",
pages = "809--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Fantucci:1994:DME,
author = "P. Fantucci and S. Polezzo",
title = "Direct Minimization of the Energy in Density
Functional Theory",
journal = j-IJQC,
volume = "52",
number = "4",
pages = "817--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Moreno:1994:DUM,
author = "M. Moreno and M. T. Barriuso and J. A. Aramburu",
title = "The Dependence of {10Dq} upon the Metal-Ligand
Distance, {R}. for Transition-Metal Complexes. What is
Its Microscopic Origin?",
journal = j-IJQC,
volume = "52",
number = "4",
pages = "829--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Green:1994:PCK,
author = "W. H. Green",
title = "Predictive Chemical Kinetics: Density Functional and
{Hartree--Fock} Calculations on Free-Radical Reaction
Transition States",
journal = j-IJQC,
volume = "52",
number = "4",
pages = "837--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Clementi:1994:CHH,
author = "E. Clementi and D. W. M. Hofman",
title = "{Coulomb-Hole-Hartree--Fock} Functional",
journal = j-IJQC,
volume = "52",
number = "4",
pages = "849--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Daul:1994:DFT,
author = "C. Daul",
title = "Density Functional Theory Applied to the Excited
States of Coordination Compounds",
journal = j-IJQC,
volume = "52",
number = "4",
pages = "867--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Eriksson:1994:ENG,
author = "L. A. Eriksson and V. G. Malkin and O. L. Malkina and
D. R. Salahub",
title = "The Effects of Nonlocal Gradient Corrections in
Density Functional Calculations of Hydrocarbon Radical
Hyperfine Structures",
journal = j-IJQC,
volume = "52",
number = "4",
pages = "879--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Bencini:1994:ESP,
author = "A. Bencini and M. G. Uytterhoeven and C. Zanchini",
title = "Electronic Structure of Paramagnetic Clusters of
Transition Metal Ions. 3. Magnetic Properties and
Scattered Wave Description of the Electronic Structure
of the Hexanuclear Octahedral Cluster
{[Fe$_6$(3S)$_8$(PEt$_3$)$_6$](BPh$_4$)$_2$}",
journal = j-IJQC,
volume = "52",
number = "4",
pages = "903--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Grosch:1994:GSP,
author = "G. H. Grosch and B. Freytag and K.-J. Range and U.
Roessler",
title = "Ground-State Properties of {Cd$_x$Sn${1 - x}$Te}: The
Role of $d$-Electrons",
journal = j-IJQC,
volume = "52",
number = "4",
pages = "919--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Bouyer:1994:GSC,
author = "F. Bouyer and G. Picard and J.-J. Legendre",
title = "Geometrical and Spectroscopical Characterizations of
Some Complex Entities of Aluminum{(III)} with Fluoride
Ions by {LDF}-Based Calculations",
journal = j-IJQC,
volume = "52",
number = "4",
pages = "927--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Suarez:1994:ASO,
author = "C. Suarez and A. Aguado and C. Tablero and M.
Paniagua",
title = "Application of Second-Order Density Functional Methods
to the Calculation of the {LiFH} Potential Energy
Surface",
journal = j-IJQC,
volume = "52",
number = "4",
pages = "935--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{GarciadelaVega:1994:SBI,
author = "J. M. {Garcia de la Vega} and E. San Fabian",
title = "Symmetry Breaking and Its Influence on the Correlation
Energy for {CF0+4} and {CF020-3} Ions",
journal = j-IJQC,
volume = "52",
number = "4",
pages = "947--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kaschner:1994:IHB,
author = "R. Kaschner and G. Seifert",
title = "Investigations of Hydrogen-Bonded Systems: Local
Density Approximation and Gradient Corrections",
journal = j-IJQC,
volume = "52",
number = "4",
pages = "957--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Barone:1994:DFT,
author = "V. Barone and C. Adamo and N. Russo",
title = "Density Functional Theory: An Effective Theoretical
Tool for the Study of Radicals",
journal = j-IJQC,
volume = "52",
number = "4",
pages = "963--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Fournier:1994:BAC,
author = "R. Fournier",
title = "Bonding of Acetylene to Copper Atom, Dimer, and
Trimer",
journal = j-IJQC,
volume = "52",
number = "4",
pages = "973--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Cortona:1994:SCC,
author = "P. Cortona and A. V. Monteleone",
title = "Self-Consistent Calculations of Total Energies and
Charge Densities of Solids Without Solving the
Band-Structure Problem",
journal = j-IJQC,
volume = "52",
number = "4",
pages = "987--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Cordero:1994:IPA,
author = "N. A. Cordero and O. V. Gritsenko and A. Rubio and L.
C. Balbas",
title = "Ionization Potentials of Atoms Calculated with a
Nonlocal Exchange and a Local Correlation Functional",
journal = j-IJQC,
volume = "52",
number = "4",
pages = "993--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Abashkin:1994:DFT,
author = "Y. Abashkin and F. Mele and N. Russo and M. Toscano",
title = "Density Functional Treatment of Water-Carbon Dioxide
{van der Waals} Complex",
journal = j-IJQC,
volume = "52",
number = "4",
pages = "1011--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Broclawik:1994:ESM,
author = "E. Broclawik and D. R. Salahub",
title = "On the Electronic Structure of {MoO}: Spin-Polarized
Density Functional Calculations of Spectroscopic
Properties of Low-Lying Quintet, Triplet, and Septet
States",
journal = j-IJQC,
volume = "52",
number = "4",
pages = "1017--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Fabian:1994:AAL,
author = "E. San Fabian and F. Moscardo and J. M. Perez-Jorda",
title = "Applicability to Atoms of a Large Set of Correlation
Energy Functionals",
journal = j-IJQC,
volume = "52",
number = "4",
pages = "1027--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Bohr:1994:DFS,
author = "F. Bohr and H. Chermette and M. F. Ruiz-Lopez",
title = "A Density Functional Study of Pseudotetrahedral
Metal-Nitrosyl Complexes",
journal = j-IJQC,
volume = "52",
number = "4",
pages = "1039--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Valiente:1994:IOE,
author = "R. Valiente and J. A. Aramburu and M. T. Barriuso and
M. Moreno",
title = "An Insight into Optical and {EPR} Properties of {${\rm
AgCl}^-$} and {${\rm AgF}^-$} Complexes Through
{MS-X$\alpha$} and {SCCEH} Calculations",
journal = j-IJQC,
volume = "52",
number = "4",
pages = "1051--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Forni:1994:CHC,
author = "A. Forni and G. Wiesenekker and E. J. Baerends and G.
F. Tantardini",
title = "The Chemisorption of Hydrogen on Cu(111): {A}
Dynamical Study",
journal = j-IJQC,
volume = "52",
number = "4",
pages = "1067--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Boustani:1994:SLI,
author = "I. Boustani",
title = "Systematic {LSD} Investigations on Cationic Boron
Clusters: {B0+n} $(n = {2-14})$",
journal = j-IJQC,
volume = "52",
number = "4",
pages = "1081--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Hirao:1994:FPC,
author = "M. Hirao and T. Uda",
title = "First Principles Calculation of the Optical Properties
and Stability of Hydrogenated Silicon Clusters",
journal = j-IJQC,
volume = "52",
number = "4",
pages = "1113--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Parrondo:1994:NPP,
author = "R. M. Parrondo and P. Karafiloglou and E. S. Marcos",
title = "Natural Polyelectron Population Analysis",
journal = j-IJQC,
volume = "52",
number = "5",
pages = "1127--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Wang:1994:ECS,
author = "J. Wang and V. H. Smith",
title = "Evaluation of Cross Sections for {X}-ray and
High-Energy Electron Scattering from Molecular
Systems",
journal = j-IJQC,
volume = "52",
number = "5",
pages = "1145--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Nalewajski:1994:QMV,
author = "R. F. Nalewajski and S. J. Formosinho and A. J. C.
Varandas and J. Mrozek",
title = "Quantum Mechanical Valence Study of a
Bond-Breaking-Bond-Forming Process in Triatomic
Systems",
journal = j-IJQC,
volume = "52",
number = "5",
pages = "1153--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kantorovich:1994:QCS,
author = "L. Kantorovich and A. Stashans and E. Kotomin and P.
W. M. Jacobs",
title = "Quantum Chemical Simulations of Hole Self-Trapping in
Semi-Ionic Crystals",
journal = j-IJQC,
volume = "52",
number = "5",
pages = "1177--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Telezhkin:1994:ITB,
author = "V. A. Telezhkin and A. A. Rafalovich",
title = "Improved Tight-Binding Method",
journal = j-IJQC,
volume = "52",
number = "5",
pages = "1199--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Christov:1994:TTK,
author = "S. G. Christov",
title = "Two Types of {Kramers} Rate Equations for Reactions in
Condensed Media",
journal = j-IJQC,
volume = "52",
number = "5",
pages = "1219--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Aug 17 16:25:20 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ryde:1994:CCC,
author = "U. Ryde",
title = "The Coordination Chemistry of the Catalytic Zinc Ion
in Alcohol Dehydrogenase Studied by Ab Initio Quantum
Chemical Calculations",
journal = j-IJQC,
volume = "52",
number = "5",
pages = "1229--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Hierse:1994:FSA,
author = "W. Hierse and P. M. Oppeneer",
title = "Fast and Stable Algorithm for the Analytical
Computation of Two-Center {Coulomb} and Overlap
Integrals over {Slater}-Type Orbitals",
journal = j-IJQC,
volume = "52",
number = "6",
pages = "1249--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Zitnan:1994:LUB,
author = "P. Zitnan",
title = "Lower and Upper Bounds of the Energy Spectrum for
Potentials with Multiminima",
journal = j-IJQC,
volume = "52",
number = "6",
pages = "1267--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Nolting:1994:ERSa,
author = "V. Nolting and W. S. Verwoerd",
title = "Extrapolation of Real-Space Quantum Chemical
Calculations from Finite-Size Super Cells to the Ideal
Infinite System. {I}. Theory",
journal = j-IJQC,
volume = "52",
number = "6",
pages = "1273--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Nolting:1994:ERSb,
author = "V. Nolting and W. S. Verwoerd",
title = "Extrapolation of Real-Space Quantum Chemical
Calculations from Finite-Size Super Cells to the Ideal
Infinite System. {II}. Application to One-Dimensional
Polymers",
journal = j-IJQC,
volume = "52",
number = "6",
pages = "1287--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kibler:1994:GKC,
author = "M. Kibler and L. G. Mardoyan and G. S. Pogosyan",
title = "On a Generalized {Kepler--Coulomb} System: Interbasis
Expansions",
journal = j-IJQC,
volume = "52",
number = "6",
pages = "1301--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Sengupta:1994:RTH,
author = "D. Sengupta and A. K. Chandra",
title = "Role of Tunneling of Hydrogen in Photoenolization of a
Ketone",
journal = j-IJQC,
volume = "52",
number = "6",
pages = "1317--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Marquez:1994:SPP,
author = "A. Marquez and M. J. Capitan and J. A. Odriozola and
J. Fernandez Sanz",
title = "Spectroscopic Properties and Potential Energy Curves
of Some Low-Lying Electronic States of {AlO}, {AlO0}+,
{LaO}, and {LaO0}+: An Ab Initio {CASSCF} Study",
journal = j-IJQC,
volume = "52",
number = "6",
pages = "1329--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Takeuchi:1994:XRS,
author = "H. Takeuchi and M. Nakagawa and T. Saito and T.
Egawa",
title = "{X}-Ray Scattering by Water Molecules Studied by Using
Synchrotron Radiation",
journal = j-IJQC,
volume = "52",
number = "6",
pages = "1339--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Delchev:1994:SDF,
author = "Y. I. Delchev and R. L. Pavlov and K. A. Pavlova and
L. P. Marinova",
title = "A Semiclassical Density Functional Evaluation of the
Smoothly Varying Part of the {Hartree--Fock} Binding
Energy in Atoms",
journal = j-IJQC,
volume = "52",
number = "6",
pages = "1349--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Meyer:1994:CLI,
author = "J. Meyer",
title = "Construction of Linearly Independent Relativistic
Symmetry Orbitals for Finite Double-Point Groups
Including Time Reversal Symmetry",
journal = j-IJQC,
volume = "52",
number = "6",
pages = "1369--??",
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Lopez-Bonilla:1995:HTM,
author = "J. L. L{\'o}pez-Bonilla and J. Morales and M. A.
Rosales",
title = "Hypervirial Theorem and Matrix Elements for the
{Coulomb} Potential",
journal = j-IJQC,
volume = "53",
number = "1",
pages = "3--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Frolov:1995:BST,
author = "A. M. Frolov and V. H. Smith",
title = "On Bound States in Two-Body Systems",
journal = j-IJQC,
volume = "53",
number = "1",
pages = "9--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Nunez:1995:CEV,
author = "M. A. Nu{\~n}ez",
title = "Computation of Expectation Values with {Dirichlet}
One-Dimensional Wave Functions",
journal = j-IJQC,
volume = "53",
number = "1",
pages = "15--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Nunez:1995:GCA,
author = "M. A. Nu{\~n}ez",
title = "General Criteria for Assessing the Accuracy of
Approximate Wave Functions and Their Densities",
journal = j-IJQC,
volume = "53",
number = "1",
pages = "27--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Datta:1995:DAD,
author = "S. N. Datta and B. Mallik",
title = "Determination of the Acid Dissociation Constants of
$p$-Benzohydroquinone by the {INDO} Method",
journal = j-IJQC,
volume = "53",
number = "1",
pages = "37--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Wojcik:1995:TSL,
author = "M. J. Wojcik and G. J. Mains and J. P. Devlin",
title = "Theoretical Study of {[Li(H$_2$O)$_n$]$^+$} and
{[K(H$_2$O)$_n$]$^+$} ($n = 1\ldots{}4$)",
journal = j-IJQC,
volume = "53",
number = "1",
pages = "49--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Chrysos:1995:SAG,
author = "M. Chrysos and M. E. Alikhani and M. Jacon",
title = "On the Stability of the Autodissociative Ground
Electronic State of {BeH}$^{2+}$",
journal = j-IJQC,
volume = "53",
number = "1",
pages = "57--65",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Vail:1995:ESC,
author = "J. M. Vail and B. K. Rao",
title = "Electronic Structure of Crystals: Embedded Quantum
Cluster with Overlap",
journal = j-IJQC,
volume = "53",
number = "1",
pages = "67--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Wu:1995:DFS,
author = "J. Z. Wu and B. Goodman",
title = "Distortion of the {Fermi} Surface of an Anisotropic
Two-Dimensional {Fermi} Gas",
journal = j-IJQC,
volume = "53",
number = "1",
pages = "77--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Nour:1995:BSS,
author = "S. Nour and H. Chermette",
title = "Band Structure of Solids from Clusters {SCF}
Potentials",
journal = j-IJQC,
volume = "53",
number = "1",
pages = "83--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Brandas:1995:FLS,
author = "E. J. Br{\"{a}}ndas and C. A.
Chatzidimitriou-Dreismann",
title = "Fundamentals, Logical Structure, and Unification of
Natural Sciences",
journal = j-IJQC,
volume = "53",
number = "1",
pages = "95--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Lowdin:1995:FLC,
author = "P.-O. L{\"o}wdin",
title = "On Fundamentals, Logic, and the Connection Between the
Natural Sciences",
journal = j-IJQC,
volume = "53",
number = "1",
pages = "97--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Prigogine:1995:WIF,
author = "I. Prigogine",
title = "Why Irreversibility? The Formulation of Classical and
Quantum Mechanics for Nonintegrable Systems",
journal = j-IJQC,
volume = "53",
number = "1",
pages = "105--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Fukui:1995:UNH,
author = "K. Fukui",
title = "The Uniqueness of Nature and Human Beings",
journal = j-IJQC,
volume = "53",
number = "1",
pages = "119--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Kornberg:1995:ULC,
author = "A. Kornberg",
title = "Understanding Life as Chemistry",
journal = j-IJQC,
volume = "53",
number = "1",
pages = "125--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Windt:1995:ECH,
author = "L. De Windt and D. W. M. Hoffmann and L. Pisani and E.
Clementi",
title = "Extension of the {Coulomb}-Hole-{Hartree--Fock} Theory
to Molecules",
journal = j-IJQC,
volume = "53",
number = "2",
pages = "131--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Kozlowski:1995:OEP,
author = "P. M. Kozlowski and E. R. Davidson",
title = "One-Electron Properties of Molecules Calculated Using
Second-Order Multireference Perturbation Theory",
journal = j-IJQC,
volume = "53",
number = "2",
pages = "149--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Dahl:1995:DKP,
author = "J. P. Dahl and T. J{\o}rgensen",
title = "On the {Dirac--Kepler} Problem: The
{Johnson--Lippmann} Operator, Supersymmetry, and
Normal-Mode Representations",
journal = j-IJQC,
volume = "53",
number = "2",
pages = "161--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Kadolkar:1995:CIS,
author = "C. Kadolkar and C. R. Sarma and S. Rettrup",
title = "Configuration Interaction Studies Using Biorthogonal
Approach to {VB} Basis",
journal = j-IJQC,
volume = "53",
number = "2",
pages = "183--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Hall:1995:DLL,
author = "G. G. Hall and D. Rees",
title = "A Discrete Look at Localization",
journal = j-IJQC,
volume = "53",
number = "2",
pages = "189--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Masik:1995:AQDa,
author = "J. M{\'a}{\v{s}}ik and I. Hubac and P. Mach",
title = "Applicability of Quasi-degenerate Many-Body
Perturbation Theory to Quasi-degenerate Electronic
States: The {H$_4$} Model Revisited",
journal = j-IJQC,
volume = "53",
number = "2",
pages = "207--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Stener:1995:ALD,
author = "M. Stener and A. Lisini and P. Decleva",
title = "Accurate Local Density Photoionization Cross Sections
by {LCAO} {Stieltjes} Imaging Approach",
journal = j-IJQC,
volume = "53",
number = "2",
pages = "229--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Gineityte:1995:IHE,
author = "V. Gineityte",
title = "Interpretation of the High-Energy Band Within the
Photoelectron Spectra of Alkanes Both in Terms of
Appropriate Orbitals and on the Basis of Chemical
Structure",
journal = j-IJQC,
volume = "53",
number = "2",
pages = "245--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Panas:1995:PET,
author = "Itai Panas",
title = "Practical Expressions for the Two-Center Multipole
Expansion of $r \pm 1_{12}$",
journal = j-IJQC,
volume = "53",
number = "3",
pages = "255--263",
day = "5",
month = feb,
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Apr 24 09:19:23 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Olah:1995:KAP,
author = "K. Ol{\'a}h and J. B{\'o}diss",
title = "Kinetics and Atom-Photon Interactions",
journal = j-IJQC,
volume = "53",
number = "3",
pages = "265--??",
day = "5",
month = feb,
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Apr 24 09:19:23 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Ghose:1995:SRE,
author = "K. B. Ghose",
title = "Stationary Response with Exponential Transformation:
{A} Perturbative Analysis for Molecular Static
Properties",
journal = j-IJQC,
volume = "53",
number = "3",
pages = "275--??",
day = "5",
month = feb,
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Apr 24 09:19:23 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Xu:1995:TAC,
author = "Z. Xu and J. Yan",
title = "A Theoretical Approach to the Complexation and
Decomplexation Processes in the Reaction {C$_{60}$} $+$
{He} $\rightleftharpoons$ ({He}@{C}$_{60}$)",
journal = j-IJQC,
volume = "53",
number = "3",
pages = "287--??",
day = "5",
month = feb,
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Apr 24 09:19:23 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Masik:1995:AQDb,
author = "J. M{\'a}{\v{s}}ik and I. Hubac and P. Mach",
title = "Applicability of Quasi-degenerate Many-Body
Perturbation Theory of the Ground State of the {F}$_2$
Molecule",
journal = j-IJQC,
volume = "53",
number = "3",
pages = "297--??",
day = "5",
month = feb,
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Apr 24 09:19:23 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Cook:1995:ECP,
author = "D. B. Cook",
title = "Effective Core Potentials and the Structures of
Metallocenes",
journal = j-IJQC,
volume = "53",
number = "3",
pages = "309--??",
day = "5",
month = feb,
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Apr 24 09:19:23 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Lagowski:1995:ISS,
author = "J. B. Lagowski and R. Jaeger",
title = "Ab Initio Study of the Structures of
Polythionylphosphazene Molecular Mimics with {H}, {Cl},
and {CH}$_3$ Side Groups: {3-21G}$^*$ and {6-31G}$^*$
Basis Sets Comparison",
journal = j-IJQC,
volume = "53",
number = "3",
pages = "321--??",
day = "5",
month = feb,
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Apr 24 09:19:23 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Jacchieri:1995:CST,
author = "S. G. Jacchieri and A. S. Ito",
title = "Characterization of Structural Transitions from
Aqueous Solution to a Lipid Phase for $\alpha$-{MSH}",
journal = j-IJQC,
volume = "53",
number = "3",
pages = "335--341",
day = "5",
month = feb,
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Apr 24 09:19:23 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Brewster:1995:IIT,
author = "M. E. Brewster and M.-J. Huang and E. Pop and N.
Bodor",
title = "Isomeric Interconversions in Tamoxifen and Related
Compounds: An {AM1} Study",
journal = j-IJQC,
volume = "53",
number = "3",
pages = "343--??",
day = "5",
month = feb,
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Apr 24 09:19:23 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Piris:1995:BAM,
author = "M. Piris and R. Cruz",
title = "A {BCS} Approach to Molecular Correlation",
journal = j-IJQC,
volume = "53",
number = "4",
pages = "353--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Patra:1995:SCP,
author = "S. M. Patra and R. K. Mishra",
title = "Splitting of the Characteristic Polynomial {(CP)}
Using a Computational Technique to Obtain the Factors
of the Mirror Plane and Two, Three-, and $n$-Fold
Symmetric Graph",
journal = j-IJQC,
volume = "53",
number = "4",
pages = "361--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Arimoto:1995:SACa,
author = "S. Arimoto and K. Fukui and K. F. Taylor and P. G.
Mezey",
title = "Structural Analysis of Certain Linear Operators
Representing Chemical Network Systems via the Existence
and Uniqueness Theorems of Spectral Resolution. {I}",
journal = j-IJQC,
volume = "53",
number = "4",
pages = "375--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Arimoto:1995:SACb,
author = "S. Arimoto and K. Fukui and K. F. Taylor and P. G.
Mezey",
title = "Structural Analysis of Certain Linear Operators
Representing Chemical Network Systems via the Existence
and Uniqueness Theorems of Spectral Resolution. {II}",
journal = j-IJQC,
volume = "53",
number = "4",
pages = "387--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Kar:1995:TTC,
author = "T. Kar and K. Jug",
title = "Is There any Three-Center {CBC} Bond in
{1,5-C$_2$B$_3$H$_5$} and {1,5-C$_2$B$_3$H$_3$}?",
journal = j-IJQC,
volume = "53",
number = "4",
pages = "407--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Lohr:1995:DMH,
author = "L. L. Lohr and S. M. Blinder",
title = "Deltafunction Model for the Helium Dimer",
journal = j-IJQC,
volume = "53",
number = "4",
pages = "413--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Carsky:1995:CGGa,
author = "P. Carsky and V. Hrouda and J. Michl",
title = "Cubic-Grid {Gaussian} Basis Sets for Electron
Scattering Calculations. {I}. Definition and
Construction",
journal = j-IJQC,
volume = "53",
number = "4",
pages = "419--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Carsky:1995:CGGb,
author = "P. Carsky and V. Hrouda and J. Michl",
title = "Cubic-Grid {Gaussian} Basis Sets for Electron
Scattering Calculations. {II}. Matrix Elements",
journal = j-IJQC,
volume = "53",
number = "4",
pages = "431--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Carsky:1995:CGGc,
author = "P. Carsky and V. Hrouda and J. Michl and D. Antic",
title = "Cubic-Grid {Gaussian} Basis Sets for Electron
Scattering Calculations. {III}. Effect of Basis-Set
Translation and Size on the Calculated Cross Section",
journal = j-IJQC,
volume = "53",
number = "4",
pages = "437--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Takahashi:1995:PEG,
author = "M. Takahashi and P. Bracken and J.
{\v{C}}{\'\i}{\v{z}}ek and J. Paldus",
title = "Perturbation Expansion of the Ground-State Energy for
the One-Dimensional Cyclic {Hubbard} System in the
{H{\"u}ckel} Limit",
journal = j-IJQC,
volume = "53",
number = "5",
pages = "457--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Bracken:1995:ISC,
author = "P. Bracken and J. {\v{C}}{\'\i}{\v{z}}ek",
title = "Investigation of the {$^1{\rm E}^-_{2g}$} States in
Cyclic Polyenes",
journal = j-IJQC,
volume = "53",
number = "5",
pages = "467--471",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Simos:1995:PCP,
author = "T. E. Simos",
title = "Predictor-Corrector Phase-Fitted Methods for {$Y^{11}
= F(X,Y)$} and an Application to the {Schr{\"o}dinger}
Equation",
journal = j-IJQC,
volume = "53",
number = "5",
pages = "473--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Ferenczy:1995:AEE,
author = "G. G. Ferenczy",
title = "Approximate Energy-Evaluating Schemes for a System of
Weakly Overlapping Group Functions",
journal = j-IJQC,
volume = "53",
number = "5",
pages = "485--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Kibler:1995:CEA,
author = "M. Kibler and Y. Smirnov",
title = "{Coulomb} Energy Averaged over the nl$^{N}$-Atomic
States with a Definite Spin",
journal = j-IJQC,
volume = "53",
number = "5",
pages = "495--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Jankowski:1995:MSS,
author = "K. Jankowski and K. Kowalski and P. Jankowski",
title = "Multiple Solutions of the Single-Reference
Coupled-Cluster Equations. {II}. Alternative Reference
States",
journal = j-IJQC,
volume = "53",
number = "5",
pages = "501--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Neymeyr:1995:NDDa,
author = "K. Neymeyr and F. F. Seelig",
title = "``Neglect of Diatomic Differential Overlap'' in
Nonempirical Quantum Chemical Orbital Theories. {I}. On
the Justification of the Neglect of Diatomic
Differential Overlap Approximation",
journal = j-IJQC,
volume = "53",
number = "5",
pages = "515--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Neymeyr:1995:NDDb,
author = "K. Neymeyr and F. F. Seelig",
title = "``Neglect of Diatomic Differential Overlap'' in
Nonempirical Quantum Chemical Orbital Theories. {II}.
{A} Polynomial Expansion for {$\Delta^{-1/2}$} in Terms
of {Legendre} and {Chebyshev} Polynomials",
journal = j-IJQC,
volume = "53",
number = "5",
pages = "519--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
xxnote = "Check pages??",
}
@Article{Neymeyr:1995:NDDc,
author = "K. Neymeyr and K. Engel",
title = "``Neglect of Diatomic Differential Overlap'' in
Nonempirical Quantum Chemical Orbital Theories. {III}.
on the Spectrum of the Overlap Matrix for Diatomic
Molecules over Locally Orthogonalized Basis Functions",
journal = j-IJQC,
volume = "53",
number = "5",
pages = "519--535",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
xxnote = "Check pages??",
}
@Article{Neymeyr:1995:NDDd,
author = "K. Neymeyr",
title = "``Neglect of Diatomic Differential Overlap'' in
Nonempirical Quantum Chemical Orbital Theories. {IV}.
An Examination of the Justification of the Neglect of
Diatomic Differential Overlap {(NDDO)} Approximation",
journal = j-IJQC,
volume = "53",
number = "5",
pages = "541--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Neymeyr:1995:NDDe,
author = "K. Neymeyr",
title = "``Neglect of Diatomic Differential Overlap'' in
Nonempirical Quantum Chemical Orbital Theories. {V}.
{A} Calculus of Error Concerning the Justification of
the Neglect of Diatomic Differential Overlap {(NDDO)}
Approximation",
journal = j-IJQC,
volume = "53",
number = "5",
pages = "553--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Roeth:1995:AAC,
author = "M. Roeth and F. Gasser and C. Tavard",
title = "Asymmetries and Anisotropies in the {Compton}
Scattering from the Hydrogen Molecule",
journal = j-IJQC,
volume = "53",
number = "5",
pages = "569--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Kleindienst:1995:AIH,
author = "H. Kleindienst and G. Buesse and A. Luechow",
title = "Atomic Integrals in {Hylleraas-CI} Calculations with
Double-Linked Correlation Terms",
journal = j-IJQC,
volume = "53",
number = "5",
pages = "575--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Zakrzewski:1995:SAT,
author = "V. G. Zakrzewski and J. V. Ortiz",
title = "Semidirect Algorithms for Third-Order Electron
Propagator Calculations",
journal = j-IJQC,
volume = "53",
number = "6",
pages = "583--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Sahni:1995:DRA,
author = "V. Sahni",
title = "Derivation and Reinterpretation of Approximations in
{Schr{\"o}dinger} and {Kohn--Sham} Theory via a
Hierarchy Within the Work Formalism",
journal = j-IJQC,
volume = "53",
number = "6",
pages = "591--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Sadlej:1995:ISG,
author = "J. Sadlej and W. D. Edwards",
title = "Ab Initio Study of the Ground and First Excited State
of {LiAr}",
journal = j-IJQC,
volume = "53",
number = "6",
pages = "607--615",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Chaka:1995:SIM,
author = "A. M. Chaka",
title = "A Semiempirical Investigation of the Mechanisms for
the Alkylation of Arylamines",
journal = j-IJQC,
volume = "53",
number = "6",
pages = "617--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Ho:1995:MDA,
author = "M. Ho and R. P. Sagar and H. Schmider and D. F.
Weaver",
title = "Measures of Distance for Atomic Charge and Momentum
Densities and Their Relationship to Physical
Properties",
journal = j-IJQC,
volume = "53",
number = "6",
pages = "627--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Schmidt:1995:SCM,
author = "P. P. Schmidt",
title = "Self-Consistent Methods for the Treatment of Low-lying
Molecular Vibrations",
journal = j-IJQC,
volume = "53",
number = "6",
pages = "635--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Schmidt:1995:EMEa,
author = "P. P. Schmidt",
title = "The Evaluation of Matrix Elements in the Analysis of
Anharmonic Molecular Vibrations: Functional {Taylor}
Series Vibrations",
journal = j-IJQC,
volume = "53",
number = "6",
pages = "651--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Schmidt:1995:EMEb,
author = "P. P. Schmidt",
title = "The Evaluation of Matrix Elements in the Analysis of
Anharmonic Molecular Vibrations: Optimized Expansions
and Quadratures",
journal = j-IJQC,
volume = "53",
number = "6",
pages = "663--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Cruz:1995:VCH,
author = "S. A. Cruz and E. Ley-Koo and J. L. Marin and A.
Taylor-Armitage",
title = "Variational Calculations for the Hydrogen Atom
Confined in Spaces with Paraboloidal and Spheroidal
Boundaries",
journal = j-IJQC,
volume = "54",
number = "1",
pages = "3--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Pathak:1995:EDW,
author = "R. K. Pathak and K. Bhattacharyya",
title = "Eigenstates of Double Wells at Varying Well Depths",
journal = j-IJQC,
volume = "54",
number = "1",
pages = "13--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Palting:1995:WSC,
author = "P. Palting",
title = "On Weak and Strong Conjugacy in the Antisymmetry
Principle",
journal = j-IJQC,
volume = "54",
number = "1",
pages = "19--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Bochicchio:1995:MES,
author = "R. C. Bochicchio and H. Grinberg",
title = "On Master Equations, Spectral Resolutions, and
Self-Energy Fields in Propagator Theories for Quantum
Open Systems",
journal = j-IJQC,
volume = "54",
number = "1",
pages = "27--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Su:1995:SBS,
author = "Y.-N. Su and S.-Y. Chu",
title = "Structure and Bonding Study of the {P}$_2$ $+$
{P}$^+_2$ System",
journal = j-IJQC,
volume = "54",
number = "1",
pages = "43--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Nakajima:1995:PSI,
author = "Y. Nakajima and Y. Sakagishi and M. Shiibashi and Y.
Suzuki and H. Kato",
title = "A {PM3} Study on Intrinsic Decarboxylation Process of
Methyl-Ethyl-$\alpha$-Pyridylacetic Acid",
journal = j-IJQC,
volume = "54",
number = "1",
pages = "51--59",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Zicovich-Wilson:1995:AMC,
author = "C. Zicovich-Wilson and W. Jask{\'o}lski and J.
Planelles",
title = "Atoms and Molecules in Cavities: {A} Method for Study
of Spatial Confinement Effects",
journal = j-IJQC,
volume = "54",
number = "1",
pages = "61--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Teunissen:1995:LBS,
author = "E. H. Teunissen and A. J. Jansen",
title = "Large Basis Sets and Geometry Optimizations in
Embedded Cluster Calculations",
journal = j-IJQC,
volume = "54",
number = "1",
pages = "73--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Schlegel:1995:TBC,
author = "H. B. Schlegel and M. J. Frisch",
title = "Transformation Between {Cartesian} and Pure Spherical
Harmonic {Gaussians}",
journal = j-IJQC,
volume = "54",
number = "2",
pages = "83--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Liu:1995:NBT,
author = "H.-L. Liu and N.-Y. Chen and J. J. Ladik and P. Otto",
title = "A New Boundary Treatment: {HF} Surface Potential Model
Applied to Solid-State Cluster Calculations",
journal = j-IJQC,
volume = "54",
number = "2",
pages = "89--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Polasek:1995:QCS,
author = "M. Polasek and R. Zahradnik",
title = "A Quantum Chemical Study of Small Beryllium Hydrides
and Their Radical Anions",
journal = j-IJQC,
volume = "54",
number = "2",
pages = "93--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Ponec:1995:NPA,
author = "R. Ponec and R. C. Bochicchio",
title = "Nonlinear Population Analysis From Geminal Expansion
of Pair Densities",
journal = j-IJQC,
volume = "54",
number = "2",
pages = "99--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Aquino:1995:AEE,
author = "N. A. Aquino",
title = "Accurate Energy Eigenvalues for Enclosed Hydrogen Atom
Within Spherical Impenetrable Boxes",
journal = j-IJQC,
volume = "54",
number = "2",
pages = "107--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Raja:1995:CSH,
author = "A. V. Raja and J. B. Lagowski",
title = "Conformational Study of Halogen- and
Hydrogen-Substituted Polythionylphosphazenes Using
Density Functional Theory Method",
journal = j-IJQC,
volume = "54",
number = "2",
pages = "117--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Calamante:1995:PAE,
author = "F. Calamante and H. Grinberg",
title = "{Pad{\'e}} Approximants to the Evolution Operator
Through the {Lippmann Schwinger} Variational
Principle",
journal = j-IJQC,
volume = "54",
number = "3",
pages = "137--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Hertwig:1995:IMA,
author = "R. H. Hertwig and M. C. Holthausen and W. Koch and Z.
B. Maksic",
title = "Ab Initio {MO} and Approximate Density Functional
Theory Studies on the Lowest Singlet and Triplet States
of $s$- and $as$-Indacene",
journal = j-IJQC,
volume = "54",
number = "3",
pages = "147--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Jursic:1995:TICa,
author = "B. S. Jursic and Z. Zdravkovski",
title = "Theoretical Investigation of {\em cis\/}- and {\em
trans\/}-Nitric Oxide Dimers with Ab Initio and Density
Functional {Gaussian}-Type Orbital Approach",
journal = j-IJQC,
volume = "54",
number = "3",
pages = "161--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Mitani:1995:ESL,
author = "M. Mitani and Y. Aoki and A. Imamura",
title = "Electronic Structures of Large, Extended, Nonperiodic
Systems by Using the Elongation Method: Model
Calculations for the Cluster Series of a Polymer and
the Molecular Stacking on a Surface",
journal = j-IJQC,
volume = "54",
number = "3",
pages = "167--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Anonymous:1995:DSIa,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "54",
number = "4",
pages = "I",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Guseinov:1995:UTT,
author = "I. I. Guseinov and R. F. Yassen",
title = "Unified Treatment of Two-Center {Coulomb}, Hybrid, and
Exchange Integrals over {Slater}-Type Orbitals",
journal = j-IJQC,
volume = "54",
number = "4",
pages = "197--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Cassam-Chenai:1995:ERD,
author = "P. Cassam-Chenai",
title = "Ensemble Representable Densities for Atoms and
Molecules. {I}. General Theory",
journal = j-IJQC,
volume = "54",
number = "4",
pages = "201--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Coleman:1995:PDS,
author = "A. J. Coleman and E. P. Yukalova and V. I. Yukalov",
title = "Pairon Distributions and the Spectra of Reduced
{Hamiltonians}",
journal = j-IJQC,
volume = "54",
number = "4",
pages = "211--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Packer:1995:ADL,
author = "M. J. Packer and B. T. Pickup",
title = "An Analysis of Dynamic Linear Response Properties at
{RPA} Level",
journal = j-IJQC,
volume = "54",
number = "4",
pages = "223--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Igawa:1995:MCM,
author = "A. Igawa",
title = "A Method of Calculation of the Matrix Elements Between
the Spin-Projected Nonorthogonal {Slater}
Determinants",
journal = j-IJQC,
volume = "54",
number = "4",
pages = "235--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Luo:1995:CTR,
author = "L. Luo",
title = "{Conformation-Transitional} Rate in Protein Folding",
journal = j-IJQC,
volume = "54",
number = "4",
pages = "243--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Bu:1995:TSI,
author = "Y. Bu and Y. Zhang and L. Qiu",
title = "Theoretical Studies on the Inner-Sphere Reorganization
Energies for the Self-Exchange Reactions of Gas-Phase
Diatomic Molecules {HA} ({A} = {Mg}, {Al}, {Si}, {P},
{S}, {Cl})",
journal = j-IJQC,
volume = "54",
number = "4",
pages = "249--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Koga:1995:NHF,
author = "T. Koga and S. Watanabe and A. J. Thakkar",
title = "Numerical {Hartree--Fock} Results for Atoms {Cs}
Through {Lr}",
journal = j-IJQC,
volume = "54",
number = "4",
pages = "261--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Cao:1995:BSS,
author = "Y. Cao and L. Chen and B. Chen and J. Fen and W. Chen
and Y-K Pan",
title = "Band Structure Studies on Crystalline {C$_{60}$},
{Ca$_3$C$_{60}$}, and {Ca$_5$C$_{60}$}",
journal = j-IJQC,
volume = "54",
number = "4",
pages = "265--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Mallik:1995:SQC,
author = "B. Mallik and S. N. Datta",
title = "Semiempirical Quantum Chemical Treatment of the
Standard Reduction Potentials of Quinone and
Plastoquinone in Water",
journal = j-IJQC,
volume = "54",
number = "4",
pages = "271--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Anonymous:1995:DSIb,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "54",
number = "5",
pages = "I",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Bian:1995:TCD,
author = "W. Bian and C. Deng",
title = "Theoretical and Computational Developments",
journal = j-IJQC,
volume = "54",
number = "5",
pages = "273--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Zhang:1995:PDE,
author = "Z. Zhang and L. Adamowicz",
title = "Properties, Dynamics, and Electronic Structure of
Atoms and Molecules",
journal = j-IJQC,
volume = "54",
number = "5",
pages = "281--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Li:1995:SMM,
author = "Y. M. Li and H. M. Xiao",
title = "Studies on the Mechanism of {Mannich} Reaction
Involving Iminium Salt as Potential {Mannich} Reagent.
{III}. Furan as Pseudo Acid Component",
journal = j-IJQC,
volume = "54",
number = "5",
pages = "293--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ju:1995:ECN,
author = "G.-Z. Ju and F. B. C. Machado and E. R. Davidson",
title = "On Electron Correlation in {NaCl$_2$}",
journal = j-IJQC,
volume = "54",
number = "5",
pages = "299--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Fernandez-Serra:1995:GSS,
author = "P. Fernandez-Serra and V. Botella and Y. G. Smeyers
and A. Galano and G. Delgado-Barrio",
title = "Ground-State and Some Excited States of {Li$_2$} by
the Half-Projected {Hartree--Fock} Method",
journal = j-IJQC,
volume = "54",
number = "5",
pages = "305--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Fang:1995:HBE,
author = "J.-Y. Fang and C. Thomson",
title = "Hydrogen-Bonding Effects, Electrostatic Potential, and
the Antitumor Activity of Flavone Acetic Acid and
Related Compounds. {I}. Ab Initio Studies on the First
Stable Conformations",
journal = j-IJQC,
volume = "54",
number = "5",
pages = "313--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Haken:1995:PAQ,
author = "H. Haken and H. C. Wolf and E. J. Br{\"{a}}ndas",
title = "The Physics of Atoms and Quanta",
journal = j-IJQC,
volume = "54",
number = "5",
pages = "325--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1995:DSIc,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "54",
number = "6",
pages = "VII",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1995:VTC,
author = "Anonymous",
title = "Volume Table of Contents",
journal = j-IJQC,
volume = "54",
number = "6",
pages = "I",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Khait:1995:SSP,
author = "Yu G. Khait and A. I. Panin and A. S. Averyanov",
title = "Search for Stationary Points of Arbitrary Index by
Augmented {Hessian} Method",
journal = j-IJQC,
volume = "54",
number = "6",
pages = "329--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Aug 17 16:23:50 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Sarkar:1995:ESQ,
author = "P. Sarkar and S. P. Bhattacharyya",
title = "The Effects of Static Quartic Anharmonicity on the
Quantum Dynamics of a Linear Oscillator with
Time-Dependent Harmonic Frequency: Perturbative
Analysis and Numerical Calculations",
journal = j-IJQC,
volume = "54",
number = "6",
pages = "337--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Rees:1995:LFC,
author = "D. Rees and G. G. Hall",
title = "Localized Functions on a Circle",
journal = j-IJQC,
volume = "54",
number = "6",
pages = "351--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Rees:1995:LPA,
author = "D. Rees and G. G. Hall",
title = "Localized Planar Atomic Hybrids",
journal = j-IJQC,
volume = "54",
number = "6",
pages = "361--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Jurimae:1995:SSH,
author = "T. Jurimae and M. Strandberg and M. Karelson and J-L
Calais",
title = "A Semiempirical Study of Heterocycle Oligomers and
Polymers in Different Dielectric Media",
journal = j-IJQC,
volume = "54",
number = "6",
pages = "369--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Nogueira:1995:EFG,
author = "S. R. Nogueira and D. Guenzburger",
title = "Electric-Field Gradients and Magnetic Hyperfine
Parameters of Square-Pyramidal {(M(CN)$_5$)$^{3-}$}
({M} = {Co}, {Rh}, and {Ir}) Complexes",
journal = j-IJQC,
volume = "54",
number = "6",
pages = "381--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1995:VTP,
author = "Anonymous",
title = "Volume Title Page",
journal = j-IJQC,
volume = "54",
number = "6",
pages = "393--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1995:DSId,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "55",
number = "1",
pages = "I",
day = "5",
month = jul,
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Broeckhove:1995:DNE,
author = "J. Broeckhove and W. Keutgens and L. Lathouwers and P.
{van Leuven}",
title = "On the Definition of Nonadiabatic Effects in
Curve-Crossing Problems",
journal = j-IJQC,
volume = "55",
number = "1",
pages = "3--??",
day = "5",
month = jul,
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Maslov:1995:CME,
author = "I. V. Maslov and H. H. H. Homeier and E. O.
Steinborn",
title = "Calculation of Multicenter Electron Repulsion
Integrals in {Slater}-Type Basis Sets Using the
{S}-Separation Method",
journal = j-IJQC,
volume = "55",
number = "1",
pages = "9--22",
day = "5",
month = jul,
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Knuts:1995:SOC,
author = "S. Knuts and B. F. Minaev and O. Vahtras and H.
Agren",
title = "Spin-Orbit Coupling in the Intersystem Crossing of the
Ring-Opened Oxirane Biradical",
journal = j-IJQC,
volume = "55",
number = "1",
pages = "23--??",
day = "5",
month = jul,
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Teng:1995:TPS,
author = "Q. Teng and J. Feng and C. Sun and M. C. Zerner",
title = "Theoretical Predictions of the Structures and
Electronic Spectra of {${\rm C}_{60}{\rm NH}^+_2$} with
Comparisons with the Isoelectronic Molecules
{C$_{60}$O} and {C$_{60}$CH$_2$}",
journal = j-IJQC,
volume = "55",
number = "1",
pages = "35--??",
day = "5",
month = jul,
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Wang:1995:PCH,
author = "Y. Wang and C. Deng",
title = "{PHGLF} Calculations of Heliumlike Three-Body
Systems",
journal = j-IJQC,
volume = "55",
number = "1",
pages = "47--??",
day = "5",
month = jul,
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kumar:1995:HDC,
author = "A. Kumar and C. G. Mohan and P. C. Mishra",
title = "Hybridization Displacement Charge in Molecules and Its
Effects on Electrostatic Potentials and Fields",
journal = j-IJQC,
volume = "55",
number = "1",
pages = "53--??",
day = "5",
month = jul,
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Nandel:1995:CSA,
author = "F. S. Nandel and A. Ahluwalia and A. Kaur",
title = "Conformational Structure of the Amphipathic Peptide
Insecticide {L-KALA}",
journal = j-IJQC,
volume = "55",
number = "1",
pages = "61--??",
day = "5",
month = jul,
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Roychoudhury:1995:CSC,
author = "M. Roychoudhury and D. Kumar",
title = "A Comparative Study of Crystal Packing vs.
Conformational Energy of
{N-Acetyl-2,3-Didehydroproline}",
journal = j-IJQC,
volume = "55",
number = "1",
pages = "71--??",
day = "5",
month = jul,
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1995:DSIe,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "55",
number = "2",
pages = "I",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lowdin:1995:HDE,
author = "P.-O. L{\"o}wdin",
title = "The Historical Development of the Electron Correlation
Problem",
journal = j-IJQC,
volume = "55",
number = "2",
pages = "77--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kirtman:1995:LQC,
author = "B. Kirtman",
title = "Local Quantum Chemistry: The Local Space Approximation
for {M{\o}ller--Plesset} Perturbation Theory",
journal = j-IJQC,
volume = "55",
number = "2",
pages = "103--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Surjan:1995:ICB,
author = "P. R. Surjan",
title = "The Interaction of Chemical Bonds. {IV}. Interbond
Charge Transfer by a Coupled-Cluster-Type Formalism",
journal = j-IJQC,
volume = "55",
number = "2",
pages = "109--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Zaitsevskii:1995:SOI,
author = "A. Zaitsevskii and J.-P. Malrieu",
title = "Second-Order Intermediate {Hamiltonian} Method: Pilot
Applications to Vertical Excitations in $p$-Electron
Systems",
journal = j-IJQC,
volume = "55",
number = "2",
pages = "117--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Hughes:1995:CCM,
author = "S. R. Hughes and U. Kaldor",
title = "The Coupled-Cluster Method in High Sectors of the
{Fock} Space",
journal = j-IJQC,
volume = "55",
number = "2",
pages = "127--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Piecuch:1995:CCA,
author = "P. Piecuch and R. Tobola and J. Paldus",
title = "Coupled-Cluster Approaches with an Approximate Account
of Triply and Quadruply Excited Clusters:
Implementation of the Orthogonally Spin-Adapted {CCD} +
{ST(CCD),CCSD} + {T(CCSD)}, and {ACPQ} + {ST(ACPQ)}
Formalisms",
journal = j-IJQC,
volume = "55",
number = "2",
pages = "133--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Gdanitz:1995:FMR,
author = "R. J. Gdanitz and R. Rohse",
title = "A Formulation of Multiple-Reference {CI} with Terms
Linear in the Interelectronic Distances. {II}. An
Alternative {Ansatz}",
journal = j-IJQC,
volume = "55",
number = "2",
pages = "147--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Szalay:1995:AED,
author = "P. G. Szalay",
title = "Analytic Energy Derivatives for Coupled-Cluster
Methods Describing Excited States: General Formulas and
Comparison of Computational Costs",
journal = j-IJQC,
volume = "55",
number = "2",
pages = "151--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Scuseria:1995:CBB,
author = "G. E. Scuseria",
title = "On the Connections Between
{Brueckner}-Coupled-Cluster, Density-Dependent
{Hartree--Fock}, and Density Functional Theory",
journal = j-IJQC,
volume = "55",
number = "2",
pages = "165--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Maroulis:1995:EPC,
author = "G. Maroulis",
title = "Evaluating the Performance of Correlated Methods in
Molecular Property Calculations: Pattern Recognition
and Clustering in Spaces of Theoretical Descriptions",
journal = j-IJQC,
volume = "55",
number = "2",
pages = "173--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Bishop:1995:MCC,
author = "R. F. Bishop and Y. Xian and C. Zeng",
title = "A Microscopic Coupled-Cluster Treatment of Electronic
Correlations in {Hubbard} Models",
journal = j-IJQC,
volume = "55",
number = "2",
pages = "181--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Neogrady:1995:SAR,
author = "P. Neogrady and M. Urban",
title = "Spin-Adapted Restricted {Hartree--Fock} Reference
Coupled-Cluster Theory for Open Shell Systems:
Noniterative Triples for Noncanonical Orbitals",
journal = j-IJQC,
volume = "55",
number = "2",
pages = "187--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Jankowski:1995:PVU,
author = "K. Jankowski and I. Grabowski",
title = "Performance of Valence-Universal Multireference
Coupled-Cluster Theory for Quasi-Degenerate States: The
{H$_8$} and {DZP} {H$_4$} Models",
journal = j-IJQC,
volume = "55",
number = "2",
pages = "205--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Malli:1995:ICR,
author = "G. L. Malli and J. Styszynski and A. B. F. Da Silva",
title = "Ab Initio Calculations of Relativistic and Electron
Correlation Effects in Polyatomics Using the Universal
{Gaussian} Basis Set: {XeF$_2$}",
journal = j-IJQC,
volume = "55",
number = "3",
pages = "213--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Styszynski:1995:ECR,
author = "J. Styszynski and G. L. Malli",
title = "Electron Correlation and Relativistic Effects in Xenon
Tetrafluoride",
journal = j-IJQC,
volume = "55",
number = "3",
pages = "227--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kaplan:1995:NIR,
author = "I. G. Kaplan and R. Santamaria and O. Novaro",
title = "Nonadditive Interactions and the Relative Stability of
Neutral and Anionic Silver Clusters",
journal = j-IJQC,
volume = "55",
number = "3",
pages = "237--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kozlowski:1995:ENC,
author = "P. M. Kozlowski and L. Adamowicz",
title = "Effective Nonadiabatic Calculations on the Ground
State of the {HD}$^+$ Molecule",
journal = j-IJQC,
volume = "55",
number = "3",
pages = "245--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Salazar:1995:ICS,
author = "M. C. Salazar and A. De Castro and J. L. Paz and G. H.
F. Diercksen and A. J. Hernadez",
title = "Ab Initio Conformational Study of the {CO} \ldots{}
{H$_2$} {Van der Waals} Dimer",
journal = j-IJQC,
volume = "55",
number = "3",
pages = "251--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Bittererova:1995:ICS,
author = "M. Bittererova and H. Lischka and S. Biskupic",
title = "Ab Initio Calculation of Stationary Points for the
Ground and the First Excited State of {HCO}",
journal = j-IJQC,
volume = "55",
number = "3",
pages = "261--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Jankowski:1995:AVU,
author = "K. Jankowski and P. Malinowski",
title = "Application of the Valence-Universal Coupled-Cluster
Method Based on Various Model Spaces to {1S} States of
Be",
journal = j-IJQC,
volume = "55",
number = "3",
pages = "269--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Evangelisti:1995:CAS,
author = "S. Evangelisti and G. L. Bendazzoli and L. Gagliardi",
title = "Complete Active-Space Configuration Interaction with
Optimized Orbitals: Application to {Li$_2$}",
journal = j-IJQC,
volume = "55",
number = "3",
pages = "277--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lisini:1995:QCA,
author = "A. Lisini and P. Decleva",
title = "The {QDPT} {CI} Approach for Excitation and Ionization
Spectra: {A} Test on the {CO} Molecule",
journal = j-IJQC,
volume = "55",
number = "3",
pages = "281--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Pal:1995:ECE,
author = "S. Pal and K. B. Ghose and H.-D. Meyer",
title = "Electron Correlation Effects in Target Molecule in
Low-Energy {$e^- + {\rm N}_2$} Scattering",
journal = j-IJQC,
volume = "55",
number = "3",
pages = "291--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1995:DSIf,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "55",
number = "4",
pages = "I",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Babic:1995:REF,
author = "D. Babi{\'c} and N. Trinajsti{\'c}",
title = "Resonance Energies of Fullerenes with $4$-Membered
Rings",
journal = j-IJQC,
volume = "55",
number = "4",
pages = "309--314",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Cundari:1995:ECP,
author = "T. R. Cundari and Y. Li",
title = "Effective Core Potential Modeling of Group {IVA}-Group
{IVB} Chemical Vapor Deposition",
journal = j-IJQC,
volume = "55",
number = "4",
pages = "315--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Bu:1995:ISR,
author = "Y. Bu and Z. Cao and Z. Yang",
title = "The Inner-Sphere Reorganization Energies for {AH$_2$
$+$ AH$_2$$^{+(-)}$} ({A} $=$ {Al}, {Si}, {P}, {S})
Electron Self-Exchange Reactions in Electron-Transfer
Processes from Ab Initio Calculations",
journal = j-IJQC,
volume = "55",
number = "4",
pages = "329--337",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{VanCamp:1995:TEC,
author = "P. E. {Van Camp} and V. E. {Van Doren}",
title = "Total Energy Calculations in the {DFT} on Binary
Compounds",
journal = j-IJQC,
volume = "55",
number = "4",
pages = "339--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Bendazzoli:1995:PMA,
author = "G. L. Bendazzoli and S. Evangelisti",
title = "The {PPP} Model of Alternant Cyclic Polyenes with
Modified Boundary Conditions",
journal = j-IJQC,
volume = "55",
number = "4",
pages = "347--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Morley:1995:TSS,
author = "J. O. Morley and M. H. Charlton",
title = "Theoretical Studies on the Structure and Electronic
Properties of {3-Isothiazolones}",
journal = j-IJQC,
volume = "55",
number = "4",
pages = "361--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Anonymous:1995:DSIg,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "55",
number = "5",
pages = "I",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kozlowski:1995:MEO,
author = "P. M. Kozlowski and L. Adamowicz",
title = "Matrix Elements for {$J_2$} and {$J_z$} Operators over
Explicitly Correlated {Cartesian Gaussian} Functions",
journal = j-IJQC,
volume = "55",
number = "5",
pages = "367--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lushington:1995:ISM,
author = "G. H. Lushington and P. Bundgen and F. Grein",
title = "Ab Initio Study of Molecular $g$-Tensors",
journal = j-IJQC,
volume = "55",
number = "5",
pages = "377--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ross:1995:ISE,
author = "R. B. Ross and C. W. Kern and R. M. Pitzer and W. C.
Ermler",
title = "Ab Initio Studies of the Electronic Structure of
{Be$_{93}$}, {Be$_{105}$}, {Be$_{111}$}, and
{Be$_{123}$} Clusters",
journal = j-IJQC,
volume = "55",
number = "5",
pages = "393--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Jug:1995:SCV,
author = "K. Jug and B. Ahlswede and G. Geudtner",
title = "{SINDO1} Calculations of Vibrational Frequencies of
Adsorbed Molecules",
journal = j-IJQC,
volume = "55",
number = "5",
pages = "411--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Vilanove:1995:DVR,
author = "H. Vilanove and M. Jacon",
title = "Discrete Variable Representation Method Applied to the
Determination of {$J = 0$} Vibrational Bound States of
{NO$_2$}",
journal = j-IJQC,
volume = "55",
number = "5",
pages = "419--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Cardenas-Lailhacar:1995:STS,
author = "C. Cardenas-Lailhacar and M. C. Zerner",
title = "Searching for Transition States: The {Line-Then-Plane}
{(LTP)} Approach",
journal = j-IJQC,
volume = "55",
number = "6",
pages = "429--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Nefedova:1995:IET,
author = "V. V. Nefedova and A. I. Boldyrev and J. Simons",
title = "Ab Initio Energies and Tunneling Lifetimes of the
Doubly Charged {AH$_2$}$^+$ ({A $=$ Mg--Ar})
Diatomics",
journal = j-IJQC,
volume = "55",
number = "6",
pages = "441--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Proft:1995:AFS,
author = "F. De Proft and W. Langenaeker and P. Geerlings",
title = "Acidity of First- and Second-Row Hydrides: Effects of
Electronegativity and Hardness",
journal = j-IJQC,
volume = "55",
number = "6",
pages = "459--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Barone:1995:TER,
author = "V. Barone and S. Fliszar",
title = "Theoretical Energies of Representative Carbon-Carbon
Bonds",
journal = j-IJQC,
volume = "55",
number = "6",
pages = "469--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Mohandas:1995:IMO,
author = "P. Mohandas and M. C. Shivaglal and J. Chandrasekhar
and S. Singh",
title = "Ab Initio Molecular Orbital Calculations on the
Associated Complexes of Lithium Cyanide with Ammonia",
journal = j-IJQC,
volume = "55",
number = "6",
pages = "477--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Yu:1995:AIE,
author = "Z.-H. Yu",
title = "An Atomic Interaction Energy Approach to the
Reactivity of Aromatic Ring Toward Electrophilic
Attack",
journal = j-IJQC,
volume = "55",
number = "6",
pages = "485--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Fortunelli:1995:EAI,
author = "A. Fortunelli and O. Salvetti",
title = "Erratum --- An Analysis of the Integrand Occurring in
Correlation Energy Functionals",
journal = j-IJQC,
volume = "55",
number = "6",
pages = "493--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1995:DSIh,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "56",
number = "1",
pages = "I",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kryachko:1995:WFC,
author = "E. S. Kryachko",
title = "On Wave-Function Correction to {Hellmann--Feynman}
Force: {Hartree--Fock} Method",
journal = j-IJQC,
volume = "56",
number = "1",
pages = "3--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Delhalle:1995:NVS,
author = "J. Delhalle and J. Cizek",
title = "Note on the Variation Step in the Iteration-Variation
Approach: Illustration on the Hydrogen Atom",
journal = j-IJQC,
volume = "56",
number = "1",
pages = "9--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Mo:1995:WCW,
author = "Y. Mo and Q. Zhang",
title = "Why {N$_2$O$_2$} is {\em cis\/} While {(CHO$_2$)} is
{\em trans}: {MO} and {VB} Studies",
journal = j-IJQC,
volume = "56",
number = "1",
pages = "19--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Decleva:1995:ACE,
author = "P. Decleva and A. Lisini and M. Venuti",
title = "Accurate {CI} Expansion in a Spline Basis of the
Helium Ground-State Wave Function",
journal = j-IJQC,
volume = "56",
number = "1",
pages = "27--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Fang:1995:TSP,
author = "W-H Fang and X.-Z. You",
title = "Theoretical Study on the Photodecarboxylation Reaction
of Methacrylic Acid in the Gas Phase",
journal = j-IJQC,
volume = "56",
number = "1",
pages = "43--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kristyan:1995:CEN,
author = "S. Kristyan and J. A. Olson",
title = "Charge-Exchange in the Nonadiabatic {Na\slash W}
Gas-Surface Reaction Using a Diabatic Representation",
journal = j-IJQC,
volume = "56",
number = "1",
pages = "51--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1995:DSIi,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "56",
number = "2",
pages = "I",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Rajadell:1995:SDD,
author = "F. Rajadell and J. Planelles and J. Karwowski and V.
Mas",
title = "Spectral Density Distribution of an {$N$}-Electron
{Hamiltonian} in a Finite-Dimensional and Spin-Adapted
Model Space",
journal = j-IJQC,
volume = "56",
number = "2",
pages = "71--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Zhu:1995:SSU,
author = "J. Zhu and J-M Yan and D.-Y. Yan",
title = "Studies on the Structural Unit and Suspending Terminal
Groups in the Quasi-One-Dimensional Periodic System",
journal = j-IJQC,
volume = "56",
number = "2",
pages = "81--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Datta:1995:NDH,
author = "S. N. Datta",
title = "Near {Dirac--Hartree--Fock} Results for First-Row
Atoms Calculated with {GTO} Basis Sets",
journal = j-IJQC,
volume = "56",
number = "2",
pages = "91--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Cullen:1995:RGV,
author = "J. M. Cullen",
title = "A Rapid Generalized Valence-Bond Algorithm for
Semiempirical {NDDO} Calculations",
journal = j-IJQC,
volume = "56",
number = "2",
pages = "97--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Jursic:1995:TICb,
author = "B. S. Jursic and Z. Zdravkovski",
title = "Theoretical Investigation of the Conrotatory Ring
Opening of Cyclobutene and
{1,2-Dihydro-1,2-diazacyclobutadienes} with Ab Initio
and Density Functional {Gaussian}-Type-Orbital
Approach",
journal = j-IJQC,
volume = "56",
number = "2",
pages = "115--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1995:DSIj,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "56",
number = "3",
pages = "I",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Jeziorski:1995:UGA,
author = "B. Jeziorski and J. Paldus and P. Jankowski",
title = "Unitary Group Approach to Spin-Adapted Open-Shell
Coupled Cluster Theory",
journal = j-IJQC,
volume = "56",
number = "3",
pages = "129--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Galvez:1995:PAF,
author = "F. J. Galvez and I. Porras",
title = "Properties of the Atomic Form Factor: Applications and
Shell Structure",
journal = j-IJQC,
volume = "56",
number = "3",
pages = "157--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Gotoh:1995:MCA,
author = "M. Gotoh and K. Mori and R. Itoh",
title = "Method of Computer Algebraic Calculation of the Matrix
Elements in the Second Quantization Language",
journal = j-IJQC,
volume = "56",
number = "3",
pages = "163--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ley-Koo:1995:VLF,
author = "E. Ley-Koo and S. Mateos-Cortes and G. Villa-Torres",
title = "Vibrational Levels and {Franck--Condon} Factors of
Diatomic Molecules via {Morse} Potentials in a Box",
journal = j-IJQC,
volume = "56",
number = "3",
pages = "175--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Li:1995:ESY,
author = "M. Li and W. Fu",
title = "Electronic Structures of {YBa$_2$Cu$_3$O$_y$} Doped by
{La}",
journal = j-IJQC,
volume = "56",
number = "3",
pages = "187--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1995:DSIk,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "56",
number = "4",
pages = "III",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Burke:1995:RSA,
author = "K. Burke and J. P. Perdew",
title = "Real-Space Analysis of the Exchange-Correlation
Energy",
journal = j-IJQC,
volume = "56",
number = "4",
pages = "199--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Pearson:1995:PMP,
author = "R. G. Pearson",
title = "The Principle of Maximum Physical Hardness",
journal = j-IJQC,
volume = "56",
number = "4",
pages = "211--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Engel:1995:DFT,
author = "E. Engel",
title = "Density Functional Theory of Field Theoretical
Systems",
journal = j-IJQC,
volume = "56",
number = "4",
pages = "217--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Nagy:1995:CSA,
author = "A. Nagy",
title = "Coordinate Scaling and Adiabatic Connection Formula
for Ensembles of Fractionally Occupied Excited States",
journal = j-IJQC,
volume = "56",
number = "4",
pages = "225--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kohn:1995:DFT,
author = "W. Kohn",
title = "Density Functional Theory for Systems of Very Many
Atoms",
journal = j-IJQC,
volume = "56",
number = "4",
pages = "229--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Wlodarz:1995:DFT,
author = "J. J. Wlodarz",
title = "Density Functional Theory and Self-Dual Phase-Space
Representations of Quantum Mechanics",
journal = j-IJQC,
volume = "56",
number = "4",
pages = "233--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Vieira:1995:DCS,
author = "A. Vieira and M. Brajczewska and C. Fiolhais",
title = "Decay of Charged Stabilized Jellium Clusters",
journal = j-IJQC,
volume = "56",
number = "4",
pages = "239--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lundqvist:1995:DFT,
author = "B. I. Lundqvist and Y. Andersson and H. Shao and S.
Chan and D. C. Langreth",
title = "Density Functional Theory Including {van der Waals}
Forces",
journal = j-IJQC,
volume = "56",
number = "4",
pages = "247--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{March:1995:SED,
author = "M. H. March",
title = "Subtle Energies in Density Functional Theory,
Correlation and Molecular Dissociation",
journal = j-IJQC,
volume = "56",
number = "4",
pages = "257--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Sahni:1995:WFE,
author = "V. Sahni",
title = "The Work Formalism of Electronic Structure",
journal = j-IJQC,
volume = "56",
number = "4",
pages = "265--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ludena:1995:LST,
author = "E. V. Ludena and R. Lopez-Boada and J. E. Maldonado
and E. Valderrama and E. S. Kryachko and T. Koga and J.
Hinze",
title = "Local-Scaling Transformation Version of Density
Functional Theory",
journal = j-IJQC,
volume = "56",
number = "4",
pages = "285--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Pople:1995:SUC,
author = "J. A. Pople and P. M. W. Gill and N. C. Handy",
title = "Spin-Unrestricted Character of {Kohn--Sham} Orbitals
for Open-Shell Systems",
journal = j-IJQC,
volume = "56",
number = "4",
pages = "303--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Santamaria:1995:TDAa,
author = "R. Santamaria and I. G. Kaplan and O. Novaro",
title = "On the Test of Different Atomic Exchange Functionals",
journal = j-IJQC,
volume = "56",
number = "4",
pages = "307--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Janssens:1995:RBE,
author = "G. O. A. Janssens and B. G. Baekelandt and H. Toufar
and W. J. Mortier and R. A. Schoonheydt",
title = "On the Relation Between Electronic and Nuclear
Vibrations via the Response Matrix Derived from
Semiempirical Density Functional-Based Sensitivity
Analysis",
journal = j-IJQC,
volume = "56",
number = "4",
pages = "317--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Savin:1995:DFY,
author = "A. Savin and H. J. Flad",
title = "Density Functionals for the {Yukawa} Electron-Electron
Interaction",
journal = j-IJQC,
volume = "56",
number = "4",
pages = "327--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Theophilou:1995:DFT,
author = "A. K. Theophilou and N. I. Gidopoulos",
title = "Density Functional Theory for Excited States",
journal = j-IJQC,
volume = "56",
number = "4",
pages = "333--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Zupan:1995:DFL,
author = "A. Zupan and M. Causa",
title = "Density Functional {LCAO} Calculations for Solids:
Comparison Among {Hartree--Fock}, {DFT} Local Density
Approximation, and {DFT} Generalized Gradient
Approximation Structural Properties",
journal = j-IJQC,
volume = "56",
number = "4",
pages = "337--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Sham:1995:SEB,
author = "L. J. Sham",
title = "Some Efforts Beyond the Local Density Approximation",
journal = j-IJQC,
volume = "56",
number = "4",
pages = "345--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Svendsen:1995:GEE,
author = "P. S. Svendsen and U. {von Barth}",
title = "On the Gradient Expansion of the Exchange Energy
Within Linear Response Theory and Beyond",
journal = j-IJQC,
volume = "56",
number = "4",
pages = "351--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ziesche:1995:CSI,
author = "P. Ziesche",
title = "Correlation Strength and Information Entropy",
journal = j-IJQC,
volume = "56",
number = "4",
pages = "363--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Holas:1995:ETC,
author = "A. Holas and N. H. March",
title = "Exact Theorems Concerning Noninteracting Kinetic
Energy Density Functional in {D} Dimensions and Their
Implications for Gradient Expansions",
journal = j-IJQC,
volume = "56",
number = "4",
pages = "371--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Levy:1995:NER,
author = "M. Levy and A. Gorling",
title = "New Exact Relations for Improving the Exchange and
Correlation Potentials",
journal = j-IJQC,
volume = "56",
number = "4",
pages = "385--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Rajagopal:1995:NTD,
author = "A. K. Rajagopal and F. A. Buot",
title = "A Nonequilibrium Time-Dependent Functional Theory
Based on {Liouvillean} Quantum Field Dynamics",
journal = j-IJQC,
volume = "56",
number = "4",
pages = "389--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Thu Jan 04 11:48:12 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Sen:1995:ALE,
author = "K. D. Sen and T. V. Gayatri and R. Krishnaveni and M.
Kakkar and H. Toufar and G. O. A. Janssens and B. G.
Baekelandt and R. A. Schoonheydt and W. J. Mortier",
title = "Average Local Electrostatic Potential and the
Core-Valency Separation in Atoms",
journal = j-IJQC,
volume = "56",
number = "4",
pages = "399--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Bader:1995:CNS,
author = "R. F. W. Bader",
title = "Chemistry and the Near-Sighted Nature of the
One-Electron Density Matrix",
journal = j-IJQC,
volume = "56",
number = "4",
pages = "409--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Santamaria:1995:TDAb,
author = "R. Santamaria and I. G. Kaplan and O. Novaro",
title = "On the Test of Different Atomic Exchange Functionals",
journal = j-IJQC,
volume = "56",
number = "4",
pages = "421--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1995:DSIl,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "56",
number = "5",
pages = "III",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Sukumar:1995:DFT,
author = "N. Sukumar",
title = "Density Functional Theory of {Born} Couplings:
Consequences for Electron Flow in {Jahn--Teller}
Molecules and Superconductors",
journal = j-IJQC,
volume = "56",
number = "5",
pages = "423--432",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Contreras:1995:DFT,
author = "R. Contreras and P. Perez and A. Aizman",
title = "A Density Functional Theory Formulation of the
Reaction Field Model of Solvent Effects",
journal = j-IJQC,
volume = "56",
number = "5",
pages = "433--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Hedin:1995:ECK,
author = "L. Hedin",
title = "Electron Correlation: Keeping Close to an Orbital
Description",
journal = j-IJQC,
volume = "56",
number = "5",
pages = "445--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Nalewajski:1995:CRC,
author = "R. F. Nalewajski",
title = "Chemical Reactivity Concepts in Charge Sensitivity
Analysis",
journal = j-IJQC,
volume = "56",
number = "5",
pages = "453--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Schreckenbach:1995:IAE,
author = "G. Schreckenbach and T. Ziegler and J. Li",
title = "The Implementation of Analytical Energy Gradients
Based on a Quasi-Relativistic Density Functional
Method: The Application to Metal Carbonyls",
journal = j-IJQC,
volume = "56",
number = "5",
pages = "477--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Yanez:1995:IEM,
author = "R. J. Y{\'a}{\~n}ez and J. C. Angulo and J. S.
Dehesa",
title = "Information Entropies of Many-Electron Systems",
journal = j-IJQC,
volume = "56",
number = "5",
pages = "489--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Alonso:1995:NFE,
author = "J. A. Alonso and L. C. Balbas and A. Rubio",
title = "Nonlocal Functionals for Exchange and Correlation in
Density Functional Theory: Application to Atoms and to
Small Atomic Clusters",
journal = j-IJQC,
volume = "56",
number = "5",
pages = "499--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Wang:1995:FCH,
author = "J. Wang and V. H. {Smith Jr.}",
title = "{Fermi} and {Coulomb} Holes of Molecules in Excited
States",
journal = j-IJQC,
volume = "56",
number = "5",
pages = "509--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Luders:1995:FDL,
author = "M. Luders and E. K. U. Gross",
title = "Frequency-Dependent Linear Response of Superconducting
Systems",
journal = j-IJQC,
volume = "56",
number = "5",
pages = "521--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Zapol:1995:IGC,
author = "B. P. Zapol",
title = "Integral-Geometrical Consideration of Density
Matrices",
journal = j-IJQC,
volume = "56",
number = "5",
pages = "535--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Day:1995:LOE,
author = "O. W. {Day, Jr.}",
title = "A Local One-Electron Operator for the
Generalized-Overlap Amplitudes",
journal = j-IJQC,
volume = "56",
number = "5",
pages = "547--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Gerwens:1995:MMM,
author = "H. Gerwens and K. Jug",
title = "Modeling of the Mutual Molecular Polarization with an
Electronegativity Equalization Approach",
journal = j-IJQC,
volume = "56",
number = "5",
pages = "563--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Tobisch:1995:TSO,
author = "S. Tobisch and H. Boegel",
title = "Theoretical Studies of Organonickel Compounds. {I}.
{A} Density Functional and Ab Initio {HF} Study",
journal = j-IJQC,
volume = "56",
number = "5",
pages = "575--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Aguilar:1995:VFS,
author = "J. G. Aguilar and A. Mananes and M. J. Lopez and M. P.
Iniguez and J. A. Alonso",
title = "Vibrational Frequencies of Sodium Clusters",
journal = j-IJQC,
volume = "56",
number = "5",
pages = "589--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Nalewajski:1995:UCS,
author = "R. F. Nalewajski and A. Michalak",
title = "Use of Charge Sensitivity Analysis in Diagnosing
Chemisorption Clusters: Minimum-Energy Coordinate and
{Fukui} Function Study of Model Toluene-{(V$_2$O$_5$)}
Systems",
journal = j-IJQC,
volume = "56",
number = "5",
pages = "603--613",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Paglieri:1995:SED,
author = "L. Paglieri and G. Corongiu and D. A. Estrin",
title = "Solvent Effects in Density Functional Calculations of
Uracil and Cytosine Tautomerism",
journal = j-IJQC,
volume = "56",
number = "5",
pages = "615--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Romera:1995:WFS,
author = "E. Romera and J. S. Dehesa and R. J. Y{\'a}{\~n}ez",
title = "The {Weizsacker} Functional: Some Rigorous Results",
journal = j-IJQC,
volume = "56",
number = "5",
pages = "627--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Mrozek:1995:CRT,
author = "J. Mrozek and A. Michalak",
title = "Chemical Reactivity Trends of Ergotamine and
Butenolide from Electrostatic Potentials and Charge
Sensitivities",
journal = j-IJQC,
volume = "56",
number = "5",
pages = "633--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Adamo:1995:SPS,
author = "C. Adamo and J. Lelj",
title = "Stationary Point Structure and Energetics: Density
Functional Study Including Solvent Effects on the
Tautomerization of Formamide and 2-Pyridone",
journal = j-IJQC,
volume = "56",
number = "5",
pages = "645--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1996:DSIa,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "57",
number = "1",
pages = "I--I",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lowdin:1996:MJL,
author = "P. O. L{\"o}wdin",
title = "In Memory of {Jean-Louis Calais}",
journal = j-IJQC,
volume = "57",
number = "1",
pages = "1--??",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Gazquez:1996:CGC,
author = "Jos{\'e} L. G{\'a}zquez and Juvencio Robles",
title = "On the Conjoint Gradient Correction to the
{Hartree--Fock} Kinetic and Exchange Energy Density
Functionals",
journal = j-IJQC,
volume = "57",
number = "1",
pages = "3--6",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:41 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60346",
acknowledgement = ack-nhfb,
}
@Article{Morales:1996:AFE,
author = "Daniel A. Morales",
title = "Analytical Formulas for the Eigenvalues and
Eigenfunctions of a {$d$-Dimensional} Hydrogen Atom
with a Potential Defined by {Gauss}' Law",
journal = j-IJQC,
volume = "57",
number = "1",
pages = "7--15",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:41 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60352",
acknowledgement = ack-nhfb,
}
@Article{Gritsenko:1996:SOE,
author = "Oleg Gritsenko and Robert van Leeuwen and Evert Jan
Baerends",
title = "Structure of the Optimized Effective {Kohn--Sham}
Exchange Potential and Its Gradient Approximations",
journal = j-IJQC,
volume = "57",
number = "1",
pages = "17--33",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:41 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60353",
acknowledgement = ack-nhfb,
}
@Article{Olszewski:1996:DEO,
author = "S. Olszewski",
title = "Distribution of Electron Orbits Having a Definite
Angular Momentum in a Static Magnetic Field",
journal = j-IJQC,
volume = "57",
number = "1",
pages = "35--41",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:41 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60354",
acknowledgement = ack-nhfb,
}
@Article{Zuniga:1996:MEM,
author = "Jos{\'e} Z{\'u}{\~n}iga and Mercedes Alacid and
Alberto Requena and Adolfo Bastida",
title = "Matrix Elements for the Modified {Poschl--Teller}
Potential",
journal = j-IJQC,
volume = "57",
number = "1",
pages = "43--51",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:41 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60355",
acknowledgement = ack-nhfb,
}
@Article{Negadi:1996:PTF,
author = "T. Negadi and M. Kibler",
title = "The Periodic Table in Flatland",
journal = j-IJQC,
volume = "57",
number = "1",
pages = "53--61",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:41 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60356",
acknowledgement = ack-nhfb,
}
@Article{Taseli:1996:ESS,
author = "H. Ta{\c{s}}eli",
title = "On the Exact Solution of the {Schr{\"o}dinger}
Equation with a Quartic Anharmonicity",
journal = j-IJQC,
volume = "57",
number = "1",
pages = "63--71",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:41 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60357",
acknowledgement = ack-nhfb,
}
@Article{Yamaguchi:1996:ITP,
author = "Yoichi Yamaguchi and Tokio Yamabe",
title = "Ab Initio Torsional Potentials in Silole Dimers",
journal = j-IJQC,
volume = "57",
number = "1",
pages = "73--78",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:41 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60358",
acknowledgement = ack-nhfb,
}
@Article{Seong:1996:ISN,
author = "Jeonghee Seong and Jong Keun Park and Hosung Sun",
title = "Ab Initio Study on {NH}$^+$: Transition Dipole
Moments, Transition Probabilities, and Radiative
Lifetimes",
journal = j-IJQC,
volume = "57",
number = "1",
pages = "79--87",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:41 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60359",
acknowledgement = ack-nhfb,
}
@Article{Koga:1996:KEA,
author = "Toshikatsu Koga and Ajit J. Thakkar",
title = "Kinetic Energy Analysis of Atomic Multiplets",
journal = j-IJQC,
volume = "57",
number = "1",
pages = "89--94",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:41 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60347",
acknowledgement = ack-nhfb,
}
@Article{Bu:1996:ISH,
author = "Yuxiang Bu and Zhaohua Cao and Xinyu Song",
title = "Ab Initio Studies on Hydrogen-Transfer Tunneling for
{Cl} + {HCl} Abstraction Hydrogen Reaction",
journal = j-IJQC,
volume = "57",
number = "1",
pages = "95--104",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:41 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60348",
acknowledgement = ack-nhfb,
}
@Article{Swang:1996:CHO,
author = "Ole Swang and Knut {Faegri Jr.} and Odd Gropen and Ulf
Wahlgren",
title = "Chemisorption of Hydrogen and Oxygen Atoms on a Cobalt
Surface: {A} Quantum Chemical Cluster Model Study",
journal = j-IJQC,
volume = "57",
number = "1",
pages = "105--111",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:41 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60349",
acknowledgement = ack-nhfb,
}
@Article{Olszewski:1996:PNB,
author = "S. Olszewski and T. Kwiatkowski",
title = "Properties of {Non-Bloch} {LCAO} Wave Functions for
Cubic Crystals in the Presence of an External Electric
Field",
journal = j-IJQC,
volume = "57",
number = "1",
pages = "113--121",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:41 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60350",
acknowledgement = ack-nhfb,
}
@Article{Alkorta:1996:MPP,
author = "Ibon Alkorta and Juan J. Perez",
title = "Molecular Polarization Potential Maps of the Nucleic
Acid Bases",
journal = j-IJQC,
volume = "57",
number = "1",
pages = "123--135",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:41 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60351",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1996:DSIb,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "57",
number = "2",
pages = "I--??",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jun 3 06:50:07 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kinghorn:1996:IDC,
author = "Donald B. Kinghorn",
title = "Integrals and Derivatives for Correlated {Gaussian}
Functions Using Matrix Differential Calculus",
journal = j-IJQC,
volume = "57",
number = "2",
pages = "141--155",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60361",
acknowledgement = ack-nhfb,
}
@Article{He:1996:AQC,
author = "Zhi He and Elfi Kraka and Dieter Cremer",
title = "Application of Quadratic {CI} with Singles, Doubles,
and Triples {(QCISDT)}: An Attractive Alternative to
{CCSDT}",
journal = j-IJQC,
volume = "57",
number = "2",
pages = "157--172",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60364",
acknowledgement = ack-nhfb,
}
@Article{Inokuti:1996:RSP,
author = "Mitio Inokuti",
title = "Remarks on Stopping Power: Its Connections with
Particle Transport and with the Electronic Structure of
Matter",
journal = j-IJQC,
volume = "57",
number = "2",
pages = "173--182",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60365",
acknowledgement = ack-nhfb,
}
@Article{Keith:1996:SHB,
author = "T. A. Keith and R. F. W. Bader and Y. Aray",
title = "Structural Homeomorphism Between the Electron Density
and the Virial Field",
journal = j-IJQC,
volume = "57",
number = "2",
pages = "183--198",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60366",
acknowledgement = ack-nhfb,
}
@Article{Kirby:1996:SLD,
author = "Robert A. Kirby and Aage E. Hansen",
title = "Study of locally dense and locally saturated basis
sets in localized molecular orbital calculations of
nuclear shielding: {Ab} initio {LORG} calculations for
$^{13}${C} and $^{17}${O} in norbornenone",
journal = j-IJQC,
volume = "57",
number = "2",
pages = "199--205",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60367",
acknowledgement = ack-nhfb,
}
@Article{Li:1996:CBD,
author = "Zhiru Li and Fu-Ming Tao and Yuh-Kang Pan",
title = "Calculation of Bond Dissociation Energies of Diatomic
Molecules Using Bond Function Basis Sets with
Counterpoise Corrections",
journal = j-IJQC,
volume = "57",
number = "2",
pages = "207--212",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60368",
acknowledgement = ack-nhfb,
}
@Article{Jursic:1996:DFC,
author = "Branko S. Jursic",
title = "Density Functional Calculations of Difluorodiazete
Structures with {Gaussian-Orbital-Type} Approach",
journal = j-IJQC,
volume = "57",
number = "2",
pages = "213--217",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60369",
acknowledgement = ack-nhfb,
}
@Article{Tolpygo:1996:ESH,
author = "Kiril B. Tolpygo and Helen A. Grebneva",
title = "Effect of the state of $h-b-1$ hydrogen bond on the
character of some atom vibrations in guanine-cytosine
pair of the {DNA} molecule",
journal = j-IJQC,
volume = "57",
number = "2",
pages = "219--227",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60370",
acknowledgement = ack-nhfb,
}
@Article{Ho:1996:EFG,
author = "Tse-Ming Ho and Tse-Chiang Chang",
title = "Electric-Field Gradient Calculations for Atoms with
Axial Symmetry",
journal = j-IJQC,
volume = "57",
number = "2",
pages = "229--233",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60371",
acknowledgement = ack-nhfb,
}
@Article{Bracken:1996:ISS,
author = "P. Bracken",
title = "Investigation of Some Soluble Lattice Spin Models",
journal = j-IJQC,
volume = "57",
number = "2",
pages = "235--243",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60362",
acknowledgement = ack-nhfb,
}
@Article{Cardenas:1996:PIT,
author = "R. Cardenas and J. Andres and J. Krechl and M.
Campillo and O. Tapia",
title = "On a Possible Invariance of a Transition Structure to
the Effects Produced by Ancillary {H}-Bonding
Molecules: Modeling the Effects of {Ser-48} in the
Hydride-Transfer Step of Liver Alcohol Dehydrogenase",
journal = j-IJQC,
volume = "57",
number = "2",
pages = "245--257",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60363",
acknowledgement = ack-nhfb,
}
@Article{Adams:1996:AAS,
author = "Barry G. Adams and E. J. Brandas",
title = "Algebraic Approach to Simple Quantum Systems",
journal = j-IJQC,
volume = "57",
number = "2",
pages = "259--??",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jun 3 06:50:07 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ladik:1996:BCC,
author = "Janos Ladik and Wolfgang Forner and E. J. Brandas",
title = "The Beginnings of Cancer in the Cell",
journal = j-IJQC,
volume = "57",
number = "2",
pages = "261--??",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jun 3 06:50:07 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Weniger:1996:NSTa,
author = "Ernst Joachim Weniger",
title = "Nonlinear Sequence Transformations: {A} Computational
Tool for Quantum Mechanical and Quantum Chemical
Calculations",
journal = j-IJQC,
volume = "57",
number = "3",
pages = "265--280",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60373",
acknowledgement = ack-nhfb,
}
@Article{vanLenthe:1996:RRT,
author = "E. {van Lenthe} and R. {van Leeuwen} and E. J.
Baerends and J. G. Snijders",
title = "Relativistic Regular Two-Component {Hamiltonians}",
journal = j-IJQC,
volume = "57",
number = "3",
pages = "281--293",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60384",
acknowledgement = ack-nhfb,
}
@Article{Herschbach:1996:DSR,
author = "Dudley R. Herschbach",
title = "Dimensional Scaling and Renormalization",
journal = j-IJQC,
volume = "57",
number = "3",
pages = "295--308",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60391",
acknowledgement = ack-nhfb,
}
@Article{Perdew:1996:CSG,
author = "John P. Perdew and Kieron Burke",
title = "Comparison Shopping for a Gradient-Corrected Density
Functional",
journal = j-IJQC,
volume = "57",
number = "3",
pages = "309--319",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60392",
acknowledgement = ack-nhfb,
}
@Article{Bianchi:1996:WFO,
author = "R. Bianchi and D. Bressanini and P. Cremaschi and M.
Mella and G. Morosi",
title = "Wave-Function Optimization by Least Squares Fitting of
the Exact Wave Function Sampled by Quantum {Monte
Carlo}",
journal = j-IJQC,
volume = "57",
number = "3",
pages = "321--325",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60393",
acknowledgement = ack-nhfb,
}
@Article{Reinhardt:1996:EAS,
author = "W. P. Reinhardt and Seungsuk Han",
title = "Exploiting the Analyticity of {Schr{\"o}dinger}
Operators: Theory and the Computation of Partial Cross
Sections",
journal = j-IJQC,
volume = "57",
number = "3",
pages = "327--341",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60394",
acknowledgement = ack-nhfb,
}
@Article{Kuhn:1996:TDD,
author = "O. K{\"u}hn and D. Malzahn and V. May",
title = "Theoretical Description of Dissipative Vibrational
Dynamics Using the Density Matrix in the State
Representation",
journal = j-IJQC,
volume = "57",
number = "3",
pages = "343--353",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60395",
acknowledgement = ack-nhfb,
}
@Article{Morrison:1996:GOA,
author = "Robert C. Morrison and Jerry R. {Mizell Jr.} and
Orville W. {Day Jr.}",
title = "Generalized Overlap Amplitudes for the Lithium Atom",
journal = j-IJQC,
volume = "57",
number = "3",
pages = "355--360",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60396",
acknowledgement = ack-nhfb,
}
@Article{Ferenczy:1996:SCN,
author = "Gy{\"o}rgy G. Ferenczy",
title = "The Self-Consistent Nonorthogonal Group Function
Approach in Reduced Basis Frozen-Core Calculations",
journal = j-IJQC,
volume = "57",
number = "3",
pages = "361--367",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60397",
acknowledgement = ack-nhfb,
}
@Article{Gianinetti:1996:OSC,
author = "Ermanno Gianinetti and Ida Vandoni and Sergio
Colombo",
title = "Optimization of a Spin-Coupled Wave Function Built
with Partially Orthogonalized Orbitals",
journal = j-IJQC,
volume = "57",
number = "3",
pages = "369--375",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60374",
acknowledgement = ack-nhfb,
}
@Article{Nalewajski:1996:HFD,
author = "Roman F. Nalewajski and Janusz Mrozek",
title = "{Hartree--Fock} difference approach to chemical
valence: {Three}-electron indices in {UHF}
approximation",
journal = j-IJQC,
volume = "57",
number = "3",
pages = "377--389",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60375",
acknowledgement = ack-nhfb,
}
@Article{Day:1996:EKT,
author = "Orville W. {Day Jr.}",
title = "The Extended {Koopmans}' Theorem {Fock} Operator and
the Generalized Overlap Amplitude One-Electron
Operator",
journal = j-IJQC,
volume = "57",
number = "3",
pages = "391--399",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60376",
acknowledgement = ack-nhfb,
}
@Article{Avery:1996:SBS,
author = "John Avery and Tom B{\o}rsen Hansen and Minchang Wang
and Frank Antonsen",
title = "{Sturmian} Basis Sets in Momentum Space",
journal = j-IJQC,
volume = "57",
number = "3",
pages = "401--411",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60377",
acknowledgement = ack-nhfb,
}
@Article{Tchougreeff:1996:QMMa,
author = "A. L. Tchougr{\'e}eff",
title = "Quantum Mechanical Models in Catalysis",
journal = j-IJQC,
volume = "57",
number = "3",
pages = "413--422",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60378",
acknowledgement = ack-nhfb,
}
@Article{Tachibana:1996:NFA,
author = "Akitomo Tachibana",
title = "New Formulation of the Analytical Electronic Energy
and the Regional Density Functional Theory",
journal = j-IJQC,
volume = "57",
number = "3",
pages = "423--428",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60379",
acknowledgement = ack-nhfb,
}
@Article{Polak:1996:FDN,
author = "Rudolf Pol{\'a}k and Ivana Paidarov{\'a} and
Vladim{\'\i}r S{\^\i}pirko and Philip J. Kuntz",
title = "On the Fragmentation Dynamics of {NH$_3$ $\rightarrow$
NH$_2$ + H}. {I}. {MRD CI} Potential Energy Surfaces",
journal = j-IJQC,
volume = "57",
number = "3",
pages = "429--440",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60380",
acknowledgement = ack-nhfb,
}
@Article{Fisier:1996:CSR,
author = "Jir{\^\i}{\'\i} Fis{\^\i}er and Jan Vojt{\'\i}k",
title = "{CI} study of rovibrational dependence of nuclear
quadrupole coupling constants of all isotopic variants
of {OH$^+$} in the {X$^3\Sigma^-$} state",
journal = j-IJQC,
volume = "57",
number = "3",
pages = "441--448",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60381",
acknowledgement = ack-nhfb,
}
@Article{Csavinszky:1996:NIL,
author = "P. Csavinszky",
title = "Numerical Investigation of a Lower Bound to the
{Thomas--Fermi} Kinetic Energy and the Validity of the
{Lieb} Conjecture for {H}$^-$, {He}, {Li}$^+$,
{B3}$^+$, {O$_6$}$^+$, {Ne$_8$}$^+$, and
{Mg$_{12}$}$^+$",
journal = j-IJQC,
volume = "57",
number = "3",
pages = "449--452",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60382",
acknowledgement = ack-nhfb,
}
@Article{Titov:1996:TSM,
author = "A. V. Titov",
title = "A two-step method of calculation of the electronic
structure of molecules with heavy atoms: {Theoretical}
aspect",
journal = j-IJQC,
volume = "57",
number = "3",
pages = "453--463",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60383",
acknowledgement = ack-nhfb,
}
@Article{Wang:1996:SSC,
author = "Bo-Cheng Wang and Liang-Jye Yu and Wen-Jwu Wang",
title = "A Semiempirical Study of {C$_{24}$N$_4$} and Its
Boron-Nitrogen Analogs",
journal = j-IJQC,
volume = "57",
number = "3",
pages = "465--470",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60385",
acknowledgement = ack-nhfb,
}
@Article{Nogueira:1996:REE,
author = "S. R. Nogueira and Diana Guenzburger",
title = "Relativistic Effects on the Electronic Structure and
Bonding of {(Ir(CN)$_5$)$_3^-$}",
journal = j-IJQC,
volume = "57",
number = "3",
pages = "471--479",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60386",
acknowledgement = ack-nhfb,
}
@Article{Sakaki:1996:TSC,
author = "Shigeyoshi Sakaki and Yasuo Musashi",
title = "A theoretical study on {CO$_2$} insertion into an
{M\bond{}H} bond ({M} = {Rh} and {Cu})",
journal = j-IJQC,
volume = "57",
number = "3",
pages = "481--491",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60387",
acknowledgement = ack-nhfb,
}
@Article{Suarez:1996:ISE,
author = "D. Su{\'a}rez and R. L{\'o}pez and J. Gonz{\'a}lez and
T. L. Sordo and J. A. Sordo",
title = "Ab initio study of the effect of {CH\dottedbond{}O}
hydrogen bonding on the {\em exo\slash endo\/}
stereoselectivity of {Diels--Alder} reactions of
2-substituted-1,3-dienes with sulfur dioxide",
journal = j-IJQC,
volume = "57",
number = "3",
pages = "493--499",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60388",
acknowledgement = ack-nhfb,
}
@Article{Cooper:1996:PPE,
author = "David L. Cooper and Robert Ponec and Thorstein
Thorsteinsson and Guido Raos",
title = "Pair Populations and Effective Valencies from Ab
Initio {SCF} and Spin-Coupled Wave Functions",
journal = j-IJQC,
volume = "57",
number = "3",
pages = "501--518",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60389",
acknowledgement = ack-nhfb,
}
@Article{Minaev:1996:SCP,
author = "Boris F. Minaev and Hans {\AA}gren",
title = "Spin-Catalysis Phenomena",
journal = j-IJQC,
volume = "57",
number = "3",
pages = "519--532",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60390",
acknowledgement = ack-nhfb,
}
@Article{Altmann:1996:SPN,
author = "Julianna A. Altmann and Nicholas C. Handy and Victoria
E. Ingamells",
title = "A Study of the Performance of Numerical Basis Sets in
{DFT} Calculations on Sulfur-Containing Molecules",
journal = j-IJQC,
volume = "57",
number = "4",
pages = "533--542",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:48 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60399",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Vojtik:1996:SCI,
author = "Jan Vojt{\'\i}k",
title = "Static Characteristics of the Ionization Event in the
{He(23S)-HD} Collision System",
journal = j-IJQC,
volume = "57",
number = "4",
pages = "543--550",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:48 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60410",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Vacek:1996:TCB,
author = "Jaroslav Vacek and Pavel Hobza",
title = "On the Thermodynamic Characteristics of the Benzene
$\cdots$ Ar$_2$ Complex: An Application of the Ab
Initio Intermolecular Potential",
journal = j-IJQC,
volume = "57",
number = "4",
pages = "551--557",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:48 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60419",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Esseffar:1996:HLI,
author = "M. Esseffar and A. Luna and O. M{\'o} and M.
Y{\'a}{\~n}ez",
title = "High-level ab initio calculations on {CH$^+_2$} ($^2$
{A$_1$}) + {PO($^2$ II)} reactions",
journal = j-IJQC,
volume = "57",
number = "4",
pages = "559--566",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:48 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60420",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Rubio:1996:SCC,
author = "Mercedes Rubio and Enrique Ort{\'\i} and Jos{\'e}
S{\'a}nchez-Mar{\'\i}n",
title = "A Study of Coronene-Coronene Association Using
Atom-Atom Pair Potentials",
journal = j-IJQC,
volume = "57",
number = "4",
pages = "567--573",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:48 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60421",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Yiannopoulou:1996:TCR,
author = "A. Yiannopoulou and T. Leininger and A. M. Lyyra and
G-H Jeung",
title = "Theoretically Calculated Rovibronic Transition Spectra
of {KRb}",
journal = j-IJQC,
volume = "57",
number = "4",
pages = "575--585",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:48 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60422",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Galasso:1996:TSS,
author = "V. Galasso",
title = "Theoretical Study of Spectroscopic Properties of
Bicyclobutane, Tricyclopentane, Tricyclohexane, and
Octabisvalene",
journal = j-IJQC,
volume = "57",
number = "4",
pages = "587--594",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:48 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60423",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Daniel:1996:LCV,
author = "C. Daniel and R. {De Vivie-Riedle} and M.-C. Heitz and
J. Manz and P. Saalfrank",
title = "From Laser Control of Vibrationally Mediated
Photodissociation to Photodesorption: Model Simulations
of Breaking Metal-Ligand Bonds in Organometallic
Molecules, Clusters, and Adsorbates at Surfaces",
journal = j-IJQC,
volume = "57",
number = "4",
pages = "595--609",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:48 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60424",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Bacchus-Montabonel:1996:SSE,
author = "M. C. {Bacchus-Montabonel} and F. Fraija",
title = "State-Selective Electron Capture Processes in
Collisions Involving Boron Ions",
journal = j-IJQC,
volume = "57",
number = "4",
pages = "611--623",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:48 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60425",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Wasilewski:1996:COS,
author = "Jan Wasilewski",
title = "A Classification of Open-Shell States of Molecules",
journal = j-IJQC,
volume = "57",
number = "4",
pages = "625--640",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:48 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60400",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Schwarz:1996:URE,
author = "W. H. E. Schwarz and A. Rutkowski and S. G. Wang",
title = "Understanding Relativistic Effects of Chemical
Bonding",
journal = j-IJQC,
volume = "57",
number = "4",
pages = "641--653",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:48 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60401",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Marx:1996:SDD,
author = "D. Marx and E. S. Fois and M. Parrinello",
title = "Static and Dynamic Density Functional Investigation of
Hydrated Beryllium Dications",
journal = j-IJQC,
volume = "57",
number = "4",
pages = "655--662",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:48 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60402",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Soudackov:1996:CFS,
author = "A. V. Soudackov and A. L. Tchougreeff and I. A.
Misurkin",
title = "Crystal-Field Splittings and Optical Spectra of
Transition-Metal Mixed-Ligand Complexes by Effective
{Hamiltonian} Method",
journal = j-IJQC,
volume = "57",
number = "4",
pages = "663--671",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:48 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60403",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Tachibana:1996:DFT,
author = "Akitomo Tachibana and Susumu Kawauchi and Koichi
Nakamura and Hideyuki Inaba",
title = "Density Functional Theory of Chemical Reactivity
Indices in Some Ion-Molecule Reaction Systems",
journal = j-IJQC,
volume = "57",
number = "4",
pages = "673--682",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:48 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60404",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Lindgren:1996:RMB,
author = "Ingvar Lindgren",
title = "Relativistic Many-Body and {QED} Calculations on
Atomic Systems",
journal = j-IJQC,
volume = "57",
number = "4",
pages = "683--695",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:48 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60405",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Rykova:1996:TSS,
author = "E. A. Rykova and N. M. Klimenko and A. I. Grigor\'ev",
title = "Theoretical Studies of Structure, Stability, and
Chemical Bonding in Oxohydride {OM$_4$H$_6$}
Complexes",
journal = j-IJQC,
volume = "57",
number = "4",
pages = "697--705",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:48 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60406",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Lohr:1996:ESR,
author = "Lawrence L. Lohr",
title = "Energies and Structures of Rotating Argon Clusters:
Analytic Descriptions and Numerical Simulations",
journal = j-IJQC,
volume = "57",
number = "4",
pages = "707--714",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:48 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60407",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Fu:1996:TSE,
author = "Xiao-Yuan Fu and Qing-Ming Li and De-Cai Fang",
title = "Theoretical Studies on the Elimination of Hydrogen
Fluoride from Alkyl Fluoride and Its Substituent
Effect",
journal = j-IJQC,
volume = "57",
number = "4",
pages = "715--719",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:48 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60408",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Enchev:1996:TBD,
author = "Venelin Enchev",
title = "Tautomerism in
2,2$\prime$-bipyridyl-3,3$\prime$-diol",
journal = j-IJQC,
volume = "57",
number = "4",
pages = "721--728",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:48 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60409",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Ramusino:1996:ISL,
author = "Marina Cotta Ramusino and Gianfranco La Manna",
title = "Ab Initio Study of Lithiated ${N}$-Methylpyridones",
journal = j-IJQC,
volume = "57",
number = "4",
pages = "729--733",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:48 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60411",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Boca:1996:PCO,
author = "Roman Bo{\v{c}}a",
title = "Platinum-Centered Octakis (Triphenylphosphino gold)
Clusters: {A} Relativistic {MO} Study",
journal = j-IJQC,
volume = "57",
number = "4",
pages = "735--740",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:48 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60412",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Sheka:1996:CMA,
author = "E. F. Sheka and V. D. Khavryutchenko and V. A.
Zayetz",
title = "Computer Modeling of Assembly of Atoms in an Electric
Field",
journal = j-IJQC,
volume = "57",
number = "4",
pages = "741--755",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:48 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60413",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Nowek:1996:ISH,
author = "Andrzej Nowek and Jerzy Leszczy{\'n}ski",
title = "An ab initio study on {HXC(double bond)O} \ldots{}
{HY} molecular complexes ({X}, {Y} = {F}, {Cl})",
journal = j-IJQC,
volume = "57",
number = "4",
pages = "757--766 (or 757--765??)",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:48 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60414",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Andreev:1996:QCS,
author = "Ye. A. Andreev and I. V. Repyakh",
title = "Quantum Chemical Study of Self-Organized Water
Fractals",
journal = j-IJQC,
volume = "57",
number = "4",
pages = "767--773",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:48 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60415",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Kozmutza:1996:ALR,
author = "C. Kozmutza and E. Kapuy and E. M. Evleth and J. Pipek
and L. Trezl",
title = "Application of the Localized Representation for
Studying Interaction Energies",
journal = j-IJQC,
volume = "57",
number = "4",
pages = "775--780",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:48 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60416",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Trindle:1996:MOS,
author = "Carl Trindle and Sambhu Nath Datta",
title = "Molecular Orbital Studies on the Spin States of
Nitroxide Species: Bis- and Trisnitroxymetaphenylene,
1,1-Bisnitroxyphenylethylene, and
{4,6-Dimethoxy-1,3}-dialkylnitroxybenzenes",
journal = j-IJQC,
volume = "57",
number = "4",
pages = "781--799",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:48 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60417",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Bouferguene:1996:SST,
author = "A. Bouferguene and M. Fares and P. E. Hoggan",
title = "{STOP}: {A} {Slater}-Type Orbital Package for
Molecular Electronic Structure Determination",
journal = j-IJQC,
volume = "57",
number = "4",
pages = "801--810",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:48 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60418",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Anonymous:1996:DSIc,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "57",
number = "5",
pages = "I--??",
day = "5",
month = mar,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jun 3 06:50:07 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Champagne:1996:IDP,
author = "Beno{\^\i}t Champagne and Jean-Marie Andr{\'e} and
Yngve {\"O}hrn",
title = "Ab Initio Dynamic Polarizabilities of Polymers. {I}.
Hydrogen Chain Models",
journal = j-IJQC,
volume = "57",
number = "5",
pages = "811--821",
day = "5",
month = mar,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:50 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60427",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Bonapasta:1996:HIS,
author = "Aldo Amore Bonapasta and Lorenzo Pavesi",
title = "Hydrogen Interaction with Shallow and Deep Centers in
{GaAs}",
journal = j-IJQC,
volume = "57",
number = "5",
pages = "823--841",
day = "5",
month = mar,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:50 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60437",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Nagy:1996:MIP,
author = "L. Turi Nagy and D. Tunega and M. Li\v{s}ka",
title = "Modeling of Interaction Properties of Surfaces of
Phyllosilicates: {A} Theoretical Forecast of Adsorption
Isotherms of Noble Gases at the Talc Surface",
journal = j-IJQC,
volume = "57",
number = "5",
pages = "843--849",
day = "5",
month = mar,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:50 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60438",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Starikov:1996:ICO,
author = "E. B. Starikov",
title = "Ab Initio Crystal Orbital Calculations on
Three-Dimensional Crystals of Large Bioorganic
Molecules and Polymers",
journal = j-IJQC,
volume = "57",
number = "5",
pages = "851--860",
day = "5",
month = mar,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:50 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60439",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Martins:1996:HHI,
author = "Jo{\~a}o B. L. Martins and Juan Andr{\'e}s and Elson
Longo and C. A. Taft",
title = "{H2O} and {H2} Interaction with {ZnO} Surfaces: {A}
{MNDO}, {AM1}, and {PM3} Theoretical Study with Large
Cluster Models",
journal = j-IJQC,
volume = "57",
number = "5",
pages = "861--870",
day = "5",
month = mar,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:50 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60440",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Flamant:1996:RIE,
author = "I. Flamant and D. H. Mosley and J. Delhalle and J. M.
Andr{\'e} and J. G. Fripiat",
title = "{RHF} Ab initio electronic and molecular structures of
a {(\singlebond{}Be$_2$ \singlebond)$_\infty$} chain",
journal = j-IJQC,
volume = "57",
number = "5",
pages = "871--879",
day = "5",
month = mar,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:50 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60441",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Fuks:1996:PDA,
author = "David Fuks and Simon Dorfman",
title = "Phase Diagram of Atom-Vacancy Solid Solution",
journal = j-IJQC,
volume = "57",
number = "5",
pages = "881--886",
day = "5",
month = mar,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:50 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60442",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Mikusik:1996:HCP,
author = "Peter Miku\v{s}{\'\i}k and \v{S}te\v{e}p{\'a}n Pick
and Norberto J. Castellani and Pierre L{\'e}gar{\'e}
and Claude Demangeat",
title = "Hydrogen chemisorption on {Pt\slash Ni} (111)
systems",
journal = j-IJQC,
volume = "57",
number = "5",
pages = "887--896",
day = "5",
month = mar,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:50 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60443",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Fuks:1996:EMP,
author = "David Fuks and Simon Dorfman",
title = "Effective Mixing Potentials and Ordering
Thermodynamics of Alloys",
journal = j-IJQC,
volume = "57",
number = "5",
pages = "897--901",
day = "5",
month = mar,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:50 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60444",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Tchougreeff:1996:LRO,
author = "A. L. Tchougr{\'e}eff and M. B. Darkhovskii",
title = "Lattice Relaxation and Order in the Low-Spin to
High-Spin Transitions in Molecular Crystals",
journal = j-IJQC,
volume = "57",
number = "5",
pages = "903--912",
day = "5",
month = mar,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:50 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60428",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Repyakh:1996:FET,
author = "Irina Repyakh",
title = "First $\pi$-electron transitions in finite polymethine
chains",
journal = j-IJQC,
volume = "57",
number = "5",
pages = "913--918",
day = "5",
month = mar,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:50 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60429",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Bishop:1996:MSQ,
author = "R. F. Bishop and R. G. Hale and Y. Xian",
title = "A Microscopic Study of the Quantum Critical Behavior
of the Spin-1/2 Anisotropic {Heisenberg} Models",
journal = j-IJQC,
volume = "57",
number = "5",
pages = "919--927",
day = "5",
month = mar,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:50 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60430",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Cheng:1996:ISS,
author = "Vincent K. W. Cheng and Michaela Flock and Michael
Ramek",
title = "Ab Initio {SCF} Structure Investigation of
$\beta$-Hydroxypropionic Acid and
{3-Aminopropionamide}",
journal = j-IJQC,
volume = "57",
number = "5",
pages = "929--941",
day = "5",
month = mar,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:50 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60431",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Friedemann:1996:TSD,
author = "R. Friedemann and C. Breitkopf",
title = "Theoretical Studies on the Decarboxylation Reaction in
Thiamin Catalysis",
journal = j-IJQC,
volume = "57",
number = "5",
pages = "943--948",
day = "5",
month = mar,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:50 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60432",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Aida:1996:IMS,
author = "Misako Aida and Motohisa Kaneko and Michel Dupuis",
title = "An Ab Initio {MO} Study on the Thymine Dimer and Its
Radical Cation",
journal = j-IJQC,
volume = "57",
number = "5",
pages = "949--957",
day = "5",
month = mar,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:50 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60433",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Sponer:1996:DBA,
author = "Ji\v{r}{\'\i} \v{S}poner and Pavel Hobza",
title = "{DNA} Base Amino Groups and Their Role in Molecular
Interactions: Ab Initio and Preliminary Density
Functional Theory Calculations",
journal = j-IJQC,
volume = "57",
number = "5",
pages = "959--970",
day = "5",
month = mar,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:50 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60434",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{LaManna:1996:MSH,
author = "Gianfranco {La Manna} and Giampaolo Barone",
title = "The Molecular Structure of ${N}$-Hydroxyurea",
journal = j-IJQC,
volume = "57",
number = "5",
pages = "971--974",
day = "5",
month = mar,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:50 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60435",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Berendsen:1996:ANT,
author = "Herman J. C. Berendsen and Janez Mavri",
title = "Approach to Nonadiabatic Transitions by Density Matrix
Evolution and Molecular Dynamics Simulations",
journal = j-IJQC,
volume = "57",
number = "5",
pages = "975--983",
day = "5",
month = mar,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:50 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60436",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Anonymous:1996:DSId,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "57",
number = "6",
pages = "XIII--??",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jun 3 06:50:07 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1996:VTCa,
author = "Anonymous",
title = "Volume Table of Contents",
journal = j-IJQC,
volume = "57",
number = "6",
pages = "I--??",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jun 3 06:50:07 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Bracken:1996:IPT,
author = "P. Bracken and J. {\v{C}}{\'\i}{\v{z}}ek",
title = "Interpolant Polynomial Technique Applied to the {PPP}
Model. {I}. Asymptotics for Excited States of Cyclic
Polyenes in the Finite Cyclic {Hubbard} Model",
journal = j-IJQC,
volume = "57",
number = "6",
pages = "1019--1031",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:53 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60446",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Cizek:1996:IPT,
author = "J. {\v{C}}{\'\i}{\v{z}}ek and P. Bracken",
title = "Interpolant Polynomial Technique Applied to the {PPP}
Model. {II}. Testing the Interpolant Technique on the
{Hubbard} Model",
journal = j-IJQC,
volume = "57",
number = "6",
pages = "1033--1048",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:53 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60448",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Mayer:1996:BFS,
author = "I. Mayer and {\'A}. Vib{\'o}k and G. Hal{\'a}sz and P.
Valiron",
title = "A {BSSE}-free {SCF} algorithm for intermolecular
interactions. {III}. {Generalization} for three-body
systems and for using bond functions",
journal = j-IJQC,
volume = "57",
number = "6",
pages = "1049--1055",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:53 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60449",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Matsen:1996:SFQ,
author = "F. A. Matsen",
title = "Spin-free quantum chemistry. {XXVI}. {The Ising},
small-bipolaron theory of cuprate superconductivity",
journal = j-IJQC,
volume = "57",
number = "6",
pages = "1057--1066",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:53 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60450",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{DeVries:1996:STA,
author = "Alex H. {De Vries} and Piet Th. {Van Duijnen}",
title = "Solvatochromism of the $\pi*\leftarrow n$ transition
of acetone by combined quantum mechanical--classical
mechanical calculations",
journal = j-IJQC,
volume = "57",
number = "6",
pages = "1067--1076",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:53 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60451",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Nunez:1996:ABE,
author = "Marco A. N{\'u}{\~n}ez",
title = "Asymptotic Behavior of Electron Densities and
Computation of One-Electron Properties",
journal = j-IJQC,
volume = "57",
number = "6",
pages = "1077--1096",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:53 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60452",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Tkacz-Smiech:1996:MPS,
author = "Katarzyna Tkacz-Smiech and Wieslaw S. Ptak and Andrzej
Kolezynski",
title = "Model Potentials in Studies of Atomic Electron Density
Distribution",
journal = j-IJQC,
volume = "57",
number = "6",
pages = "1097--1106",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:53 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60453",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Fang:1996:ISM,
author = "De-Cai Fang and Xiao-Yuan Fu",
title = "Ab initio studies on the mechanism of the
fluoroketene-imine cycloaddition reaction: {Via} a {\em
gauche\/} or {\em trans\/} intermediate",
journal = j-IJQC,
volume = "57",
number = "6",
pages = "1107--1114",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:53 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60454",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Berrondo:1996:CMI,
author = "M. Berrondo and J. F. Rivas-Silva",
title = "Cluster models of ionic crystals: {Band} gaps",
journal = j-IJQC,
volume = "57",
number = "6",
pages = "1115--1119",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:53 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60455",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Schierbaum:1996:ESI,
author = "K. D. Schierbaum and Wei-Xing Xu",
title = "The electronic structure of intrinsic defects at
{TiO$_2$} (110) surfaces: {An} ab initio molecular
orbital study",
journal = j-IJQC,
volume = "57",
number = "6",
pages = "1121--1129",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:53 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60447",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Schatz:1996:QMC,
author = "G. C. Schatz and M. A. Ratner and K. B. Whaley",
title = "Quantum Mechanics in Chemistry",
journal = j-IJQC,
volume = "57",
number = "6",
pages = "1131--??",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Anonymous:1996:VTPa,
author = "Anonymous",
title = "Volume Title Page",
journal = j-IJQC,
volume = "57",
number = "6",
pages = "1135--??",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jun 3 06:50:07 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1996:DSIe,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "58",
number = "1",
pages = "I--??",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jun 3 06:50:07 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Adhikari:1996:GRO,
author = "S. Adhikari and D. N. Nath and S. P. Bhattacharyya",
title = "Generalized {Rabi} Oscillations in a Three-Level
Metastable System Under Periodic and Quasiperiodic
Perturbations",
journal = j-IJQC,
volume = "58",
number = "1",
pages = "3--10",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:55 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60457",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Angulo:1996:MPA,
author = "J. C. Angulo and R. J. Ya{\~n}ez and J. S. Dehesa and
E. Romera",
title = "Monotonicity Properties of the Atomic Charge Density
Function",
journal = j-IJQC,
volume = "58",
number = "1",
pages = "11--21",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:55 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60459",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Ley-Koo:1996:VRL,
author = "E. Ley-Koo and S. Mateos-Cort{\'e}s and G.
Villa-Torres",
title = "Vibrational-Rotational Levels and {Franck--Condon}
Factors of Diatomic Molecules via {Morse} Potentials in
a Box",
journal = j-IJQC,
volume = "58",
number = "1",
pages = "23--28",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:55 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60460",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Chandrasekher:1996:SBE,
author = "Charu A. Chandrasekher and K. S. Griffith and Gregory
I. Gellene",
title = "Symmetry breaking and electron correlation in
{O$_2^-$}, {O$_2$}, and {O$_2^+$}: {A} comparison of
coupled cluster and quadratic configuration interaction
approaches",
journal = j-IJQC,
volume = "58",
number = "1",
pages = "29--39",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:55 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60461",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Jursic:1996:SNO,
author = "Branko S. Jursic",
title = "A Study of Nitrogen Oxides by Using Density Functional
Theory and Their Comparison with Ab Initio and
Experimental Data",
journal = j-IJQC,
volume = "58",
number = "1",
pages = "41--46",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:55 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60462",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Bohm:1996:MDM,
author = "Stanislav B{\"o}hm and Diana Antipova and Josef
Kuthan",
title = "Methanediol Decomposition Mechanisms: {A} Study
Considering Various Ab Initio Approaches",
journal = j-IJQC,
volume = "58",
number = "1",
pages = "47--55",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:55 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60463",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Chandra:1996:NSB,
author = "A. K. Chandra and V. Sreedhara Rao",
title = "Nonperfect synchronization of bond-forming and
bond-rupturing processes in the reaction {H} $+$
{H$_2$} $\rightarrow$ {H$_2$} $+$ {H}",
journal = j-IJQC,
volume = "58",
number = "1",
pages = "57--65",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:55 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60464",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Tchougreeff:1996:QMMb,
author = "A. L. Tchougr{\'e}eff",
title = "Quantum Mechanical Models for Organometallic
Reactivity",
journal = j-IJQC,
volume = "58",
number = "1",
pages = "67--84",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:55 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60465",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Dive:1996:PAM,
author = "G. Dive and D. Dehareng and D. Peeters",
title = "Proposition for the Acylation Mechanism of Serine
Proteases: {A} One-Step Process?",
journal = j-IJQC,
volume = "58",
number = "1",
pages = "85--107",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:55 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60466",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Bernardi:1996:ISD,
author = "Fernando Bernardi and Andrea Bottoni and Rita Casadio
and Piero Fariselli and Adelio Rigo",
title = "An Ab Initio Study of the Dioxygen Binding Site of
Hemocyanin: {A} Comparison Between {CASSCF}, {CASPT2},
and {DFT} Approaches",
journal = j-IJQC,
volume = "58",
number = "1",
pages = "109--119",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:55 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60458",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Anonymous:1996:DSIf,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "58",
number = "2",
pages = "I--??",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jun 3 06:50:07 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Dunlap:1996:ADF,
author = "Brett I. Dunlap",
title = "Accurate Density Functional Calculations on Large
Systems",
journal = j-IJQC,
volume = "58",
number = "2",
pages = "123--132",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:57 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60468",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Stewart:1996:ALM,
author = "James J. P. Stewart",
title = "Application of Localized Molecular Orbitals to the
Solution of Semiempirical Self-Consistent Field
Equations",
journal = j-IJQC,
volume = "58",
number = "2",
pages = "133--146",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:57 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60469",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{vanWullen:1996:UCE,
author = "Christoph {Van W{\"u}llen}",
title = "On the use of common effective core potentials in
density functional calculations. {I}. {Test}
calculations on transition-metal carbonyls",
journal = j-IJQC,
volume = "58",
number = "2",
pages = "147--152",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:57 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60470",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Monard:1996:HCQ,
author = "G{\'e}rald Monard and Michel Loos and Vincent
Th{\'e}ry and Kristofor Baka and Jean-Louis Rivail",
title = "Hybrid Classical Quantum Force Field for Modeling Very
Large Molecules",
journal = j-IJQC,
volume = "58",
number = "2",
pages = "153--159",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:57 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60471",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Soudackov:1996:GSM,
author = "A. V. Soudackov and A. L. Tchougr{\'e}eff and I. A.
Misurkin",
title = "Ground-state multiplicities and {\em d-d\/}
excitations of transition-metal complexes by effective
{Hamiltonian} method",
journal = j-IJQC,
volume = "58",
number = "2",
pages = "161--173",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:57 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60472",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Zhidomirov:1996:SWM,
author = "G. M. Zhidomirov and N. U. Zhanpeisov and I. L.
Zilberberg and I. V. Yudanov",
title = "On Some Ways of Modifying Semiempirical Quantum
Chemical Methods",
journal = j-IJQC,
volume = "58",
number = "2",
pages = "175--184",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:57 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60473",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Seifert:1996:CMC,
author = "G. Seifert and D. Porezag and Th. Frauenheim",
title = "Calculations of Molecules, Clusters, and Solids with a
Simplified {LCAO-DFT-LDA} Scheme",
journal = j-IJQC,
volume = "58",
number = "2",
pages = "185--192",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:57 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60474",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Derecskei-Kovacs:1996:NWF,
author = "Agnes Derecskei-Kovacs and Dennis S. Marynick",
title = "Nonempirical wave functions for very large molecules.
{I}. {The PRDDO\slash M} method",
journal = j-IJQC,
volume = "58",
number = "2",
pages = "193--202",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:57 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60475",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{DeJong:1996:RCU,
author = "W. A. {De Jong} and W. C. Nieuwpoort",
title = "Relativity and the Chemistry of {UF}$_6$: {A}
Molecular {Dirac--Hartree--Fock-CI} Study",
journal = j-IJQC,
volume = "58",
number = "2",
pages = "203--216",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:30:57 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60476",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Anonymous:1996:DSIg,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "58",
number = "3",
pages = "I--??",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jun 3 06:50:07 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Pisani:1996:CTC,
author = "Lorenzo Pisani and Laurent De Windt and Enrico
Clementi",
title = "Comments on the Topic ``Computation of Large
Molecules''",
journal = j-IJQC,
volume = "58",
number = "3",
pages = "219--240",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:00 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60478",
acknowledgement = ack-nhfb,
}
@Article{Ferrari:1996:SSD,
author = "Anna Maria Ferrari and Gianfranco Pacchioni",
title = "Size and Shape Dependence of the Electrostatic
Potential in Cluster Models of the {MgO} (100)
Surface",
journal = j-IJQC,
volume = "58",
number = "3",
pages = "241--250",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:00 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60479",
acknowledgement = ack-nhfb,
}
@Article{Jansen:1996:MQC,
author = "Georg Jansen and Fran{\c{c}}ois Colonna and J{\'a}nos
G. {\'A}ngy{\'a}n",
title = "Mixed Quantum-Classical Calculations on the Water
Molecule in Liquid Phase: Influence of a Polarizable
Environment on Electronic Properties",
journal = j-IJQC,
volume = "58",
number = "3",
pages = "251--265",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:00 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60480",
acknowledgement = ack-nhfb,
}
@Article{Devemy:1996:SDM,
author = "Jerome Devemy and Marie-Madeleine Rohmer and Marc
Benard and Rene Ernenwein",
title = "Standard and Direct Methods in Ab Initio
{Hartree--Fock} Calculations: Application to
Polyoxometallates, Organometallic Clusters, and
Polypeptides",
journal = j-IJQC,
volume = "58",
number = "3",
pages = "267--281",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:00 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60481",
acknowledgement = ack-nhfb,
}
@Article{Jug:1996:ESM,
author = "Karl Jug",
title = "Extension of Semiempirical Methods to Simulation of
Surfaces",
journal = j-IJQC,
volume = "58",
number = "3",
pages = "283--295",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:00 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60482",
acknowledgement = ack-nhfb,
}
@Article{Reinhardt:1996:EGS,
author = "P. Reinhardt and B. A. He{\ss} and M. Caus{\'a}",
title = "Electronic and Geometrical Structure of Bulk Rutile
Studied with {Hartree--Fock} and Density Functional
Methods",
journal = j-IJQC,
volume = "58",
number = "3",
pages = "297--306",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:00 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60483",
acknowledgement = ack-nhfb,
}
@Article{Calais:1996:FES,
author = "Jean-Louis Calais",
title = "Finite and Extended Systems",
journal = j-IJQC,
volume = "58",
number = "3",
pages = "307--313",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:00 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60484",
acknowledgement = ack-nhfb,
}
@Article{Weniger:1996:NSTb,
author = "E. J. Weniger",
title = "Nonlinear Sequence Transformations: {A} Computational
Tool for Quantum Mechanical and Quantum Chemical
Calculations",
journal = j-IJQC,
volume = "58",
number = "3",
pages = "319--??",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jun 3 06:50:07 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1996:DSIh,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "58",
number = "4",
pages = "I--??",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jun 3 06:50:07 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Nagy:1996:IEM,
author = "{\'A}. Nagy and Robert G. Parr",
title = "Information Entropy as a Measure of the Quality of an
Approximate Electronic Wave Function",
journal = j-IJQC,
volume = "58",
number = "4",
pages = "323--327",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:02 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60486",
acknowledgement = ack-nhfb,
}
@Article{Schirmer:1996:SCA,
author = "J. Schirmer and F. Mertins",
title = "Size Consistency of an Algebraic Propagator Approach",
journal = j-IJQC,
volume = "58",
number = "4",
pages = "329--339",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:02 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60489",
acknowledgement = ack-nhfb,
}
@Article{Durand:1996:CST,
author = "Philippe Durand and Ivana Paidarov{\'a}",
title = "Convergence studies in the theory of effective
{Hamiltonians}",
journal = j-IJQC,
volume = "58",
number = "4",
pages = "341--350",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:02 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60490",
acknowledgement = ack-nhfb,
}
@Article{Byrman:1996:VBS,
author = "Carsten P. Byrman and Joop H. van Lenthe",
title = "A Valence Bond Study of the Oxygen Molecule",
journal = j-IJQC,
volume = "58",
number = "4",
pages = "351--360",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:02 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60491",
acknowledgement = ack-nhfb,
}
@Article{Sola:1996:UIQ,
author = "Miquel Sol{\`a} and Jordi Mestres and Josep M. Oliva
and Miquel Duran and Ramon Carb{\'o}",
title = "The Use of Ab Initio Quantum Molecular Self-Similarity
Measures to Analyze Electronic Charge Density
Distributions",
journal = j-IJQC,
volume = "58",
number = "4",
pages = "361--372",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:02 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60492",
acknowledgement = ack-nhfb,
}
@Article{Mundim:1996:GOC,
author = "Kleber C. Mundim and Constantino Tsallis",
title = "Geometry Optimization and Conformational Analysis
Through Generalized Simulated Annealing",
journal = j-IJQC,
volume = "58",
number = "4",
pages = "373--381",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:02 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60493",
acknowledgement = ack-nhfb,
}
@Article{Thiagarajan:1996:ESA,
author = "M. Thiagarajan and K. Iyakutti and E. Palaniyandi and
M. Mahendran",
title = "Electronic Structure of {Al}, {P}, {S}, and {Cl}
Impurities in Silicon",
journal = j-IJQC,
volume = "58",
number = "4",
pages = "383--388",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:02 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60494",
acknowledgement = ack-nhfb,
}
@Article{Kakkar:1996:CHT,
author = "Rita Kakkar and Bhabani S. Padhi",
title = "{C}$_3$ {H$_4$}: {Theoretical} study of structures and
stabilities of isomers",
journal = j-IJQC,
volume = "58",
number = "4",
pages = "389--398",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:02 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60495",
acknowledgement = ack-nhfb,
}
@Article{Senent:1996:SPI,
author = "M. L. Senent",
title = "Symmetry Properties of Inversion-Bending {Hamiltonian}
of Dimethyl-Amine",
journal = j-IJQC,
volume = "58",
number = "4",
pages = "399--406",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:02 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60496",
acknowledgement = ack-nhfb,
}
@Article{Shuto:1996:QHN,
author = "Yoshito Shuto",
title = "Quadratic Hyperpolarizabilities of Nitro-Substituted
Pseudo-Linear Dye Molecules with Ethylenic and Azo
Bridges",
journal = j-IJQC,
volume = "58",
number = "4",
pages = "407--418",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:02 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60487",
acknowledgement = ack-nhfb,
}
@Article{Azavant:1996:QMC,
author = "Patrick Azavant and Albert Lichanot and Michel Rerat
and Cesare Pisani",
title = "A Quantum-Mechanical Calculation of the Dynamic
Structure Factors of Magnesium Difluoride",
journal = j-IJQC,
volume = "58",
number = "4",
pages = "419--429",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:02 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60488",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1996:DSIi,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "58",
number = "5",
pages = "I--??",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jun 3 06:50:07 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Blado:1996:STP,
author = "Gardo Garnet Blado",
title = "Supersymmetric Treatment of a Particle Subjected to a
Ring-Shaped Potential",
journal = j-IJQC,
volume = "58",
number = "5",
pages = "431--439",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:04 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60498",
acknowledgement = ack-nhfb,
}
@Article{Rudin:1996:RBC,
author = "G. E. Rudin and M. Gadella",
title = "Resonant Branch Cuts in a Generalized {Friedrichs}
Model",
journal = j-IJQC,
volume = "58",
number = "5",
pages = "441--451",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:04 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60499",
acknowledgement = ack-nhfb,
}
@Article{Satkovskiene:1996:ADM,
author = "D. \v{S}atkovskien\.{e} and V. Gineityt\.{e}",
title = "The application of the density matrix method for the
investigation of the {\em trans\/}-effect of heteroatom
in $\sigma$-electron systems",
journal = j-IJQC,
volume = "58",
number = "5",
pages = "453--459",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Nov 01 08:45:36 2000",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60500",
acknowledgement = ack-nhfb,
}
@Article{Khait:1996:TSE,
author = "Yu. G. Khait and A. S. Averyanov",
title = "Theoretical study of the external electric field
effect on the {HeH$_2$} {(2$^1A\prime$)} metastable
state",
journal = j-IJQC,
volume = "58",
number = "5",
pages = "461--469",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:04 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60501",
acknowledgement = ack-nhfb,
}
@Article{Rosciszewski:1996:SEF,
author = "K. Ro{\'s}ciszewski",
title = "Simple Empirical Formulas and Good Quality Estimations
for Electron Correlation Energies of Molecules and
Molecular Clusters: First-Row Atom Molecules",
journal = j-IJQC,
volume = "58",
number = "5",
pages = "471--485",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:04 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60502",
acknowledgement = ack-nhfb,
}
@Article{Banacky:1996:ENF,
author = "Pavol Ba\v{n}ack{\'y} and Michal Svr\v{c}ek and
Vojtech Sz{\"o}cs",
title = "Effect of Nonadiabaticity on the {Fermi}-Edge
Photoemission and Tunneling Spectra of
Superconductors",
journal = j-IJQC,
volume = "58",
number = "5",
pages = "487--496",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:04 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60503",
acknowledgement = ack-nhfb,
}
@Article{Starikov:1996:TDC,
author = "E. B. Starikov",
title = "Three-dimensional crystal orbital calculations on
mononucleotide crystallohydrates. {I}. {Sodium}
mononucleotide crystallohydrates",
journal = j-IJQC,
volume = "58",
number = "5",
pages = "497--515",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:04 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60504",
acknowledgement = ack-nhfb,
}
@Article{Larsson:1996:CPI,
author = "Sven Larsson and Lucia Rodriguez-Monge",
title = "Conductivity in Polyacetylene. {II}. Ab Initio and
Tight-Binding Calculations of Soliton Structure and
Reorganization Energy in Ordered and Disordered
Structures",
journal = j-IJQC,
volume = "58",
number = "5",
pages = "517--532",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:04 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60505",
acknowledgement = ack-nhfb,
}
@Article{Brandt:1996:PBQ,
author = "Siegmund Brandt and Hans Dieter Dahmen and H.
Carlsen",
title = "{The Picture Book of Quantum Mechanics, 2nd ed}",
journal = j-IJQC,
volume = "58",
number = "5",
pages = "533--??",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jun 3 06:50:07 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Silverman:1996:MTO,
author = "M. P. Silverman and E. Sjoqvist",
title = "More than One Mystery: Explorations in Quantum
Interference",
journal = j-IJQC,
volume = "58",
number = "5",
pages = "535--??",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jun 3 06:50:07 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1996:DSIj,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "58",
number = "6",
pages = "IX--??",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jun 3 06:50:07 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1996:VTCb,
author = "Anonymous",
title = "Volume Table of Contents",
journal = j-IJQC,
volume = "58",
number = "6",
pages = "I--??",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jun 3 06:50:07 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ballhausen:1996:O,
author = "C. J. Ballhausen",
title = "Overture",
journal = j-IJQC,
volume = "58",
number = "6",
pages = "539--??",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jun 3 06:50:07 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Calais:1996:WSQ,
author = "Jean-Louis Calais",
title = "Wavelets --- Something for Quantum Chemistry?",
journal = j-IJQC,
volume = "58",
number = "6",
pages = "541--548",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:07 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60507",
acknowledgement = ack-nhfb,
}
@Article{Lowdin:1996:SCP,
author = "Per-Olov L{\"o}wdin",
title = "Some Comments on the Properties of Unitary
Transformations on Linear Spaces Having an Indefinite
Metric and the Connection with the Theory of Spin",
journal = j-IJQC,
volume = "58",
number = "6",
pages = "549--568",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:07 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60513",
acknowledgement = ack-nhfb,
}
@Article{OConnell:1996:DFP,
author = "R. F. O'Connell",
title = "Dissipative and Fluctuation Phenomena in Quantum
Mechanics with Applications",
journal = j-IJQC,
volume = "58",
number = "6",
pages = "569--581",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:07 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60514",
acknowledgement = ack-nhfb,
}
@Article{Ohrn:1996:BMB,
author = "Yngve {\"O}hrn and Juan Oreiro and Erik Deumens",
title = "Bond Making and Bond Breaking in Molecular Dynamics",
journal = j-IJQC,
volume = "58",
number = "6",
pages = "583--591",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:07 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60515",
acknowledgement = ack-nhfb,
}
@Article{Rice:1996:NAC,
author = "Stuart A. Rice and Meishan Zhao",
title = "New Approaches to a Classical Theory of Unimolecular
Reaction Rate",
journal = j-IJQC,
volume = "58",
number = "6",
pages = "593--635",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:07 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60516",
acknowledgement = ack-nhfb,
}
@Article{Sarma:1996:GAP,
author = "C. R. Sarma and M. A. H. Ahsan and Sten Rettrup",
title = "A Graphical Approach to Permutation Group
Representations for Many-Electron Systems",
journal = j-IJQC,
volume = "58",
number = "6",
pages = "637--643",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:07 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60517",
acknowledgement = ack-nhfb,
}
@Article{Sutcliffe:1996:DIC,
author = "Brian T. Sutcliffe",
title = "The Development of the Idea of a Chemical Bond",
journal = j-IJQC,
volume = "58",
number = "6",
pages = "645--655",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:07 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60518",
acknowledgement = ack-nhfb,
}
@Article{Berry:1996:MDP,
author = "R. Stephen Berry",
title = "Many-dimensional potential surfaces: {What} they imply
and how to think about them",
journal = j-IJQC,
volume = "58",
number = "6",
pages = "657--670",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:07 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60519",
acknowledgement = ack-nhfb,
}
@Article{Cotton:1996:ESM,
author = "F. Albert Cotton and Xuejun Feng",
title = "Electronic Structure and Metal-Metal Interaction in
Edge- and Face-Sharing Bioctahedral Compounds of
Molybdenum",
journal = j-IJQC,
volume = "58",
number = "6",
pages = "671--680",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:07 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60520",
acknowledgement = ack-nhfb,
}
@Article{Dickson:1996:DFS,
author = "Ross M. Dickson and Tom Ziegler",
title = "A Density Functional Study of the Electronic Spectrum
of Permanganate",
journal = j-IJQC,
volume = "58",
number = "6",
pages = "681--687",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:07 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60508",
acknowledgement = ack-nhfb,
}
@Article{Goscinski:1996:MEM,
author = "Osvaldo Goscinski and Lotten H{\"a}gg",
title = "The Maximum Entropy Method and Relaxation for Multiple
Collisions Involving Highly Charged Ions",
journal = j-IJQC,
volume = "58",
number = "6",
pages = "689--698",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:07 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60509",
acknowledgement = ack-nhfb,
}
@Article{Lieb:1996:BAR,
author = "Elliott H. Lieb and Bruno Nachtergaele",
title = "Bond Alternation in Ring-Shaped Molecules: The
Stability of the {Peierls} Instability",
journal = j-IJQC,
volume = "58",
number = "6",
pages = "699--706",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:07 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60510",
acknowledgement = ack-nhfb,
}
@Article{Liebman:1996:ESH,
author = "Joel F. Liebman and Per N. Skancke",
title = "Evaluation of Strain in Heterosiliranes: Systematics,
Surprises, and Problems",
journal = j-IJQC,
volume = "58",
number = "6",
pages = "707--715",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:07 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60511",
acknowledgement = ack-nhfb,
}
@Article{Springborg:1996:TMB,
author = "Michael Springborg",
title = "Transfer Matrices, Band Structures, and Localized
Orbitals in Quasi-One-Dimensional Systems",
journal = j-IJQC,
volume = "58",
number = "6",
pages = "717--731",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:07 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60512",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1996:VTPb,
author = "Anonymous",
title = "Volume Title Page",
journal = j-IJQC,
volume = "58",
number = "6",
pages = "733--??",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jun 3 06:50:07 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1996:DSIk,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "59",
number = "1",
pages = "I--??",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Aug 16 13:12:40 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Koures:1996:ICE,
author = "Antonios G. Koures and Frank E. Harris",
title = "Improved Correlation Energy Functional",
journal = j-IJQC,
volume = "59",
number = "1",
pages = "3--6",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:09 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60522",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Stepanov:1996:DAP,
author = "A. V. Stepanov and V. L. Tavgin",
title = "Development of the Activation Process Model:
Compensation Effect",
journal = j-IJQC,
volume = "59",
number = "1",
pages = "7--14",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:09 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60523",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{He:1996:SOMa,
author = "Zhi He and Dieter Cremer",
title = "Sixth-order many-body perturbation theory. {I}.
{Basic} theory and derivation of the energy formula",
journal = j-IJQC,
volume = "59",
number = "1",
pages = "15--29",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:09 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60524",
acknowledgement = ack-nhfb,
}
@Article{He:1996:SOMb,
author = "Zhi He and Dieter Cremer",
title = "Sixth-order many-body perturbation theory. {II}.
{Implementation} and application",
journal = j-IJQC,
volume = "59",
number = "1",
pages = "31--55",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:09 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60525",
acknowledgement = ack-nhfb,
}
@Article{He:1996:SOMc,
author = "Zhi He and Dieter Cremer",
title = "Sixth-order many-body perturbation theory. {III}.
{Correlation} energies of size-extensive {MP6}
methods",
journal = j-IJQC,
volume = "59",
number = "1",
pages = "57--69",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:09 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60526",
acknowledgement = ack-nhfb,
}
@Article{He:1996:SOMd,
author = "Zhi He and Dieter Cremer",
title = "Sixth-order many-body perturbation theory. {IV}.
{Improvement} of the {M{\o}ller--Plesset} correlation
energy series by using {Pad{\'e}}, {Feenberg}, and
other approximations up to sixth order",
journal = j-IJQC,
volume = "59",
number = "1",
pages = "71--95",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:09 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60527",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1996:DSIl,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "59",
number = "2",
pages = "I--??",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Aug 16 13:12:40 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Zhao:1996:CCC,
author = "Honggang Zhao and Yin Wang",
title = "Calculation of the Coefficients of the Characteristic
Polynomial from Its Subgraphs",
journal = j-IJQC,
volume = "59",
number = "2",
pages = "97--102",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:11 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60529",
acknowledgement = ack-nhfb,
}
@Article{Bishop:1996:HOM,
author = "David M. Bishop and Janusz Pipin",
title = "High-Order Multipolar Hyperpolarizabilities with
Imaginary Frequency for {H} and {He}",
journal = j-IJQC,
volume = "59",
number = "2",
pages = "103--108",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:11 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60530",
acknowledgement = ack-nhfb,
}
@Article{Adhikari:1996:ALG,
author = "S. Adhikari and P. Dutta and S. P. Bhattacharyya",
title = "Applications of a Local Grid Method for Modeling
Chemical Dynamics at a Mean-Field Level",
journal = j-IJQC,
volume = "59",
number = "2",
pages = "109--117",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:11 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60531",
acknowledgement = ack-nhfb,
}
@Article{Corongiu:1996:RPE,
author = "G. Corongiu and D. Estrin and G. Murgia and L.
Paglieri and L. Pisani and G. Suzzi Valli and J. D.
Watts and E. Clementi",
title = "Revisiting the potential energy surface for {[H$_3$N
$\cdots$ HCl]}: {An} ab initio and density functional
theory investigation",
journal = j-IJQC,
volume = "59",
number = "2",
pages = "119--134",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:11 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60532",
acknowledgement = ack-nhfb,
}
@Article{Wright:1996:ERI,
author = "Jonathan D. Wright and Christopher A. Reynolds",
title = "Energetics of Reactions Involving Radical Species in
Solution: Calculation of Relative Electrode Potentials
for Nitroimidazoles Using Density Functional and
Continuum Methods",
journal = j-IJQC,
volume = "59",
number = "2",
pages = "135--145",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:11 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60533",
acknowledgement = ack-nhfb,
}
@Article{Datta:1996:TEEa,
author = "Sambhu N. Datta and Buddhadeb Mallik",
title = "Transport of Excitation Energy in a Three-Dimensional
Doped Molecular Crystal. {IV}. Fourth-Order
Propagation, Exciton Clothing, and Exciton Diffusion",
journal = j-IJQC,
volume = "59",
number = "2",
pages = "147--165",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:11 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60534",
acknowledgement = ack-nhfb,
}
@Article{Morley:1996:TAS,
author = "John O. Morley",
title = "A Theoretical Analysis of the Structure and Electronic
Properties of 2-Nitrophenylcyanate and
2-Nitrophenylthiocyanate",
journal = j-IJQC,
volume = "59",
number = "2",
pages = "167--172",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:11 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60535",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1996:DSIm,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "59",
number = "3",
pages = "I--??",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Aug 16 13:12:40 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Zhong:1996:RIT,
author = "Shi-Jun Zhong and Yin-Gui Wang and Qian-Er Zhang",
title = "Real Irreducible Tensorial Sets",
journal = j-IJQC,
volume = "59",
number = "3",
pages = "173--182",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:13 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60537",
acknowledgement = ack-nhfb,
}
@Article{Taseli:1996:ETD,
author = "H. Ta{\c{s}}eli and R. Eid",
title = "Eigenvalues of the Two-Dimensional {Schr{\"o}dinger}
Equation with Nonseparable Potentials",
journal = j-IJQC,
volume = "59",
number = "3",
pages = "183--201",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:13 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60538",
acknowledgement = ack-nhfb,
}
@Article{Zhang:1996:ISS,
author = "Ruiqin Zhang",
title = "Improved Scheme to Solve the Atomic {Schr{\"o}dinger}
Equation in Hyperspherical Coordinates",
journal = j-IJQC,
volume = "59",
number = "3",
pages = "203--207",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:13 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60539",
acknowledgement = ack-nhfb,
}
@Article{Ishida:1996:AAR,
author = "Kazuhiro Ishida",
title = "{ACE} Algorithm for the Rapid Evaluation of the
Electron-Repulsion Integral over {Gaussian-Type}
Orbitals",
journal = j-IJQC,
volume = "59",
number = "3",
pages = "209--218",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:13 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60540",
acknowledgement = ack-nhfb,
}
@Article{Bhattacharyya:1996:DOD,
author = "K. Bhattacharyya and R. K. Pathak",
title = "Degeneracy in One Dimension: Role of Singular
Potentials",
journal = j-IJQC,
volume = "59",
number = "3",
pages = "219--226",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:13 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60541",
acknowledgement = ack-nhfb,
}
@Article{Buemi:1996:CAR,
author = "Giuseppe Buemi",
title = "Conformational Analysis and Rotation Barriers of
2-Aminoethanethiol and 2-Aminoethanol: An Ab Initio
Study",
journal = j-IJQC,
volume = "59",
number = "3",
pages = "227--237",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:13 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60542",
acknowledgement = ack-nhfb,
}
@Article{Jankowski:1996:AVU,
author = "K. Jankowski and P. Malinowski",
title = "Application of the valence-universal coupled-cluster
method based on various model spaces. {II}.
{Nonstandard} solutions for {Be}",
journal = j-IJQC,
volume = "59",
number = "3",
pages = "239--249",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:13 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60543",
acknowledgement = ack-nhfb,
}
@Article{Das:1996:TST,
author = "G. P. Das and A. T. Yeates",
title = "Transport of solitons in {\em trans\/}-polyacetylene",
journal = j-IJQC,
volume = "59",
number = "3",
pages = "251--257",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:13 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60544",
acknowledgement = ack-nhfb,
}
@Article{Seminario:1996:MDF,
author = "J. H. Seminario and P. Politzer and S. B. Trickey",
title = "Modern Density Functional Theory --- {A} Tool for
Chemistry, Vol 2 in the series ``{Theoretical and
Computational Chemistry}''",
journal = j-IJQC,
volume = "59",
number = "3",
pages = "259--??",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Aug 16 13:12:40 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1996:DSIn,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "59",
number = "4",
pages = "I--??",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Aug 16 13:12:40 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Schmidt:1996:DDW,
author = "Marius Schmidt and Fritz Parak and Giorgina Corongiu",
title = "Density Distributions in the Water Shell of
Myoglobin",
journal = j-IJQC,
volume = "59",
number = "4",
pages = "263--269",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:15 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60546",
acknowledgement = ack-nhfb,
}
@Article{Blumhagen:1996:DTD,
author = "K. Blumhagen and I. Muegge and E. W. Knapp",
title = "Diffusion of Two Different Water Models and Thermal
Conductivity in a Protein-Water System",
journal = j-IJQC,
volume = "59",
number = "4",
pages = "271--279",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:15 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60547",
acknowledgement = ack-nhfb,
}
@Article{Alpert:1996:DHB,
author = "Bernard Alpert and V{\'e}ronique Le Tilly and Serge
Pin and Olivier Sire and Christian Zentz",
title = "Do the Hemeproteins Behave as a Dissipative
Structure?",
journal = j-IJQC,
volume = "59",
number = "4",
pages = "281--289",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:15 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60548",
acknowledgement = ack-nhfb,
}
@Article{Fushman:1996:BDP,
author = "David Fushman and R{\"u}diger Weisemann and Harald
Th{\"u}ring and Oliver Ohlenschl{\"a}ger and Heinz
R{\"u}terjans",
title = "Backbone Dynamics of Proteins Studied by
Two-Dimensional Heteronuclear {NMR} Spectroscopy and
Molecular Dynamics Simulations",
journal = j-IJQC,
volume = "59",
number = "4",
pages = "291--300",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:15 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60549",
acknowledgement = ack-nhfb,
}
@Article{Gilch:1996:CSF,
author = "H. Gilch and R. Schweitzer-Stenner and W. Dreybrodt
and M. Leone and A. Cupane and L. Cordone",
title = "Conformational Substates of the {Fe$_2^+$-His F$_8$}
Linkage in Deoxymyoglobin and Hemoglobin Probed in
Parallel by the {Raman} Band of the {Fe-His} Stretching
Vibration and the Near-Infrared Absorption Band {III}",
journal = j-IJQC,
volume = "59",
number = "4",
pages = "301--313",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:15 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60550",
acknowledgement = ack-nhfb,
}
@Article{Smith:1996:NPD,
author = "Lorna J. Smith and Christopher M. Dobson",
title = "{NMR} and Protein Dynamics",
journal = j-IJQC,
volume = "59",
number = "4",
pages = "315--332",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:15 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60551",
acknowledgement = ack-nhfb,
}
@Article{Jamin:1996:PII,
author = "Nad{\`e}ge Jamin and V{\'e}ronique Le Tilly and
Loussinee Zargarian and Anne Bostad and Iris
Besan{\c{c}}on-Yoshpe and Pierre-No{\"e}l Lirsac and
Odd S. Gabrielsen and Flavio Toma",
title = "Preliminary Investigation of the Interaction Between
the {R2R3} {DNA} Binding Domain of the Oncoprotein
{c-Myb} and {DNA} Fragments",
journal = j-IJQC,
volume = "59",
number = "4",
pages = "333--341",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:15 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60552",
acknowledgement = ack-nhfb,
}
@Article{Saba:1996:AQX,
author = "Giuseppe Saba and Mariano Casu and Adolfo Lai",
title = "Application of quadrupolar $^{131}${Xe}-{NMR}
relaxation to the study of macromolecular systems",
journal = j-IJQC,
volume = "59",
number = "4",
pages = "343--348",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:15 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60553",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1996:DSIo,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "59",
number = "5",
pages = "I--??",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Aug 16 13:12:40 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Penotti:1996:GOB,
author = "Fabio E. Penotti",
title = "Generalization of the Optimized-Basis-Set
Multi-Configuration Spin-Coupled Method for the Ab
Initio Calculation of Atomic and Molecular Electronic
Wave Functions",
journal = j-IJQC,
volume = "59",
number = "5",
pages = "349--378",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:18 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60555",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Zimpel:1996:TAM,
author = "Zbigniew Zimpel and Paul G. Mezey",
title = "A Topological Analysis of Molecular Shape and
Structure",
journal = j-IJQC,
volume = "59",
number = "5",
pages = "379--390",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:18 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60556",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Campbell:1996:IFE,
author = "Loudon Campbell and F. A. Matsen",
title = "The {Ising} Free-Energy Functional",
journal = j-IJQC,
volume = "59",
number = "5",
pages = "391--400",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:18 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60557",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Morley:1996:CFD,
author = "John O. Morley",
title = "Calculation of the Frequency-Dependent
Hyperpolarizability of Donor-Acceptor Azabutadienes",
journal = j-IJQC,
volume = "59",
number = "5",
pages = "401--407",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:18 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60558",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Gal:1996:PSC,
author = "Jean-Fran{\c{c}}ois Gal and Ilmar Koppel and Riho Kurg
and Pierre-Charles Maria",
title = "{PM3} Semiempirical Calculations of Lithium-Cation and
Proton Affinities for {XYZPO} and {XYSO$_2$}
Compounds",
journal = j-IJQC,
volume = "59",
number = "5",
pages = "409--420",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:18 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60559",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Ye:1996:ISR,
author = "Song Ye and Shushan Dai",
title = "Ab initio study on the reaction of {Y$^+$} +
{NH$_3\rightarrow$Y$^+$ NH} + {H$_2$}",
journal = j-IJQC,
volume = "59",
number = "5",
pages = "421--426",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:18 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60560",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Anonymous:1996:DSIp,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "59",
number = "6",
pages = "VII--??",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Oct 11 05:33:43 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1996:VTCc,
author = "Anonymous",
title = "Volume Table of Contents",
journal = j-IJQC,
volume = "59",
number = "6",
pages = "I--??",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Oct 11 05:33:43 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Bergstrom:1996:CSD,
author = "Robert Bergstr{\"o}m and Sten Lunell and Leif A.
Eriksson",
title = "Comparative Study of {DFT} Methods Applied to Small
Titanium\slash Oxygen Compounds",
journal = j-IJQC,
volume = "59",
number = "6",
pages = "427--443",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:20 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60562",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Cohen:1996:UAM,
author = "Joel M. Cohen and David Z. Goodson",
title = "Unified Approach to Molecular Structure and Molecular
Vibrations",
journal = j-IJQC,
volume = "59",
number = "6",
pages = "445--456",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:20 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60563",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Kawabe:1996:PIF,
author = "H. Kawabe and H. Nagao and K. Nishikawa",
title = "Path Integral Formulation for Many-Electron System",
journal = j-IJQC,
volume = "59",
number = "6",
pages = "457--469",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:20 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60564",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Panin:1996:CIS,
author = "A. I. Panin and K. V. Simon",
title = "Configuration Interaction Spaces with Arbitrary
Restrictions on Orbital Occupancies",
journal = j-IJQC,
volume = "59",
number = "6",
pages = "471--475",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:20 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60565",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Simos:1996:VSA,
author = "T. E. Simos and G. Tougelidis",
title = "A Variable-Step Algorithm for Computing Eigenvalues of
the Radial {Schr{\"o}dinger} Equation",
journal = j-IJQC,
volume = "59",
number = "6",
pages = "477--485",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:20 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60566",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Su:1996:HLA,
author = "Yu-Nung Su and Ming-Sung Tsai and San-Yan Chu",
title = "{H}$^+$, {Li}$^+$, and {Na}$^+$ Affinity Study of
{N$_2$}, {P}$_2$, and Their Isoelectronic Species",
journal = j-IJQC,
volume = "59",
number = "6",
pages = "487--493",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:20 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60567",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Jursic:1996:CBD,
author = "Branko S. Jursic and Robin M. Martin",
title = "Calculation of Bond Dissociation Energies for Oxygen
Containing Molecules by Ab Initio and Density
Functional Theory Methods",
journal = j-IJQC,
volume = "59",
number = "6",
pages = "495--501",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:20 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60568",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Iachello:1996:ATM,
author = "F. Iachello and R. D. Levine and J. Linderberg",
title = "Algebraic Theory of Molecules",
journal = j-IJQC,
volume = "59",
number = "6",
pages = "503--??",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Gdanitz:1996:FMR,
author = "R. J. Gdanitz and R. Rohse",
title = "A Formulation of Multiple-Reference {CI} with Terms
Linear in the Interelectronic Distances. {II}. An
Alternative Ansatz",
journal = j-IJQC,
volume = "59",
number = "6",
pages = "505--??",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Oct 11 05:33:43 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1996:VTPc,
author = "Anonymous",
title = "Volume Title Page",
journal = j-IJQC,
volume = "59",
number = "6",
pages = "507--??",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Oct 11 05:33:43 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1996:DSIq,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "I--??",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Oct 11 05:33:43 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Cook:1996:RM,
author = "D. Cook and B. T. Sutcliffe",
title = "{Roy McWeeny}",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "1--??",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Oct 11 05:33:43 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{McWeeny:1996:ISS,
author = "Roy McWeeny",
title = "Inside Story --- Some Scientific Reminiscences",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "3--19",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60570",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Singh:1996:ACS,
author = "Harjinder Singh and N. Sukumar and B. M. Deb",
title = "``Atom'' as a Complex System: One- and Two-Dimensional
Cellular Automata Simulations",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "21--28",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60581",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Zakrzewski:1996:CPM,
author = "V. G. Zakrzewski and J. V. Ortiz and Jeffrey A.
Nichols and Dodi Heryadi and Danny L. Yeager and Joseph
T. Golab",
title = "Comparison of Perturbative and Multiconfigurational
Electron Propagator Methods",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "29--36",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60592",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Anderson:1996:NMH,
author = "Norman Anderson and Brian T. Sutcliffe",
title = "The Nuclear Motion {Hamiltonian} for a Tetratomic
Molecule Considered as a Combination of an Atom and a
Triatom",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "37--46",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60603",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Wilson:1996:DBS,
author = "S. Wilson",
title = "Distributed Basis Sets of $s$-Type {Gaussian}
Functions for Molecular Electronic Structure
Calculations: Applications of the {Gaussian} Cell Model
to One-Electron Polycentric Linear Molecular Systems",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "47--57",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60614",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{John:1996:CNS,
author = "P. E. John and R. B. Mallion",
title = "Calculating the Number of Spanning Trees in a Labeled
Planar Molecular Graph Whose Inner Dual is a Tree",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "59--66",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60625",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Amos:1996:BPU,
author = "A. T. Amos",
title = "Bond Properties Using a Modern Version of the {Drude}
Model",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "67--74",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60626",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Ponec:1996:PAP,
author = "Robert Ponec and Karl Jug",
title = "Population Analysis of Pair Densities: {A} New Way of
Visualization of Molecular Structure",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "75--82",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60627",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Huzinaga:1996:IMP,
author = "S. Huzinaga",
title = "The Ab Initio Model Potential Method and the Optimized
Orbitals for the Multiconfiguration
Self-Consistent-Field -- Configuration Interaction
Approach",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "83--90",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60628",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Rettrup:1996:RSG,
author = "Sten Rettrup and Ruben Pauncz",
title = "Representations of the Symmetric Group Generated by
Projected Spin Functions: {A} Graphical Approach",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "91--98",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60571",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Rees:1996:LFS,
author = "D. Rees and G. G. Hall",
title = "Localized Functions on a Sphere",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "99--108",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60572",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Micha:1996:TEM,
author = "David A. Micha",
title = "Time-Evolution of Multiconfiguration Density Functions
Driven by Nuclear Motions",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "109--118",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60573",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Nicolaides:1996:SSA,
author = "Cleanthes A. Nicolaides",
title = "The State-Specific Approach to the Solution of
Problems of Electronic Structure and Dynamics Involving
Excited States",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "119--129",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60574",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Valdemoro:1996:CCT,
author = "C. Valdemoro",
title = "Contracting and Calculating Traces Over the
{$N$}-Electron Space: Two Powerful Tools for Obtaining
Averages",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "131--139",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60575",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{DelRe:1996:CTB,
author = "Giuseppe {Del Re}",
title = "Charge Transfer Between a Molecule and an Infinite
Electron Reservoir in the {MO} Scheme",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "141--146",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60576",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Sarma:1996:ECS,
author = "C. R. Sarma and M. A. H. Ahsan",
title = "Electron Correlation Studies: {Rumer} Basis Approach",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "147--156",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60577",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Gianinetti:1996:MRE,
author = "E. Gianinetti and M. Raimondi and E. Tornaghi",
title = "Modification of the {Roothaan} Equations to Exclude
{BSSE} from Molecular Interaction Calculations",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "157--166",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60578",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Cimiraglia:1996:MBM,
author = "Renzo Cimiraglia",
title = "Many-body multireference {M{\o}ller--Plesset} and
{Epstein--Nesbet} perturbation theory: {Fast}
evaluation of second-order energy contributions",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "167--171",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60579",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Baxter:1996:MFH,
author = "Carol A. Baxter and David B. Cook",
title = "Molecular Fragments and the Hybrid Basis",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "173--183",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60580",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Karwowski:1996:EMH,
author = "Jacek Karwowski and Dorota Biel{\'\i}nska-Wa\.{z} and
Jacek Jurkowski",
title = "Eigenvalues of Model {Hamiltonian} Matrices from
Spectral Density Distribution Moments: The {Heisenberg}
Spin {Hamiltonian}",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "185--193",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60582",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Berthier:1996:NOS,
author = "G. Berthier and M. Defranceschi and G. Tsoucaris",
title = "Note on Origin-Shift Invariants and Phase Constraints
for Momentum Space Wave Functions",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "195--199",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60583",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Avery:1996:MSP,
author = "John Avery and Tom B{\o}rsen Hansen",
title = "A Momentum-Space Picture of the Chemical Bond",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "201--211",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60584",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Poshusta:1996:DMC,
author = "R. D. Poshusta and D. B. Kinghorn",
title = "Density Matrices for Correlated {Gaussians}: Helium
and Dipositronium",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "213--224",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60585",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Raimondi:1996:OSC,
author = "M. Raimondi and M. Sironi and J. Gerratt and D. L.
Cooper",
title = "Optimized Spin-Coupled Virtual Orbitals",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "225--233",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60586",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Kutzelnigg:1996:EEP,
author = "Werner Kutzelnigg and Stefan Vogtner",
title = "Extremal Electron Pairs",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "235--248",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60587",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Lazzeretti:1996:MMP,
author = "Paolo Lazzeretti and Riccardo Zanasi",
title = "Molecular Magnetic Properties via Formal Annihilation
of Paramagnetic Contribution to Electronic Current
Density",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "249--259",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60588",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Mukhopadhyay:1996:GSP,
author = "Atri Mukhopadhyay",
title = "On a General System-Partitioning in the Many-Electron
Correlation Problem",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "261--271",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60589",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Adams:1996:LVS,
author = "William H. Adams",
title = "On the Limits of Validity of the Symmetrized
{Rayleigh--Schr{\"o}dinger} Perturbation Theory",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "273--285",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60590",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Nagaoka:1996:EBM,
author = "Masataka Nagaoka and Naoto Yoshida and Tokio Yamabe",
title = "On the Equivalence Between the Microscopic Frictional
Theory and Transition-State Theory",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "287--295",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60591",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Cammi:1996:TDV,
author = "R. Cammi and J. Tomasi",
title = "Time-Dependent Variational Principle for Nonlinear
{Hamiltonians} and Its Application to Molecules in the
Liquid Phase",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "297--306",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60593",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{March:1996:MPS,
author = "N. H. March",
title = "Momentum and Position Space Densities in Many-Electron
Systems",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "307--320",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60594",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Nordio:1996:CDA,
author = "P. L. Nordio and A. Polimeno",
title = "Classical Description of Activated Conformational
Processes in Molecular Systems Coupled to Solvent
Degrees of Freedom",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "321--329",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60595",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Kryachko:1996:LME,
author = "Eugene S. Kryachko",
title = "{Lagrangian} many-electron molecular dynamics --- {A}
modern tool for attacking the chemical bond: {The}
physics behind the equations",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "331--346",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60596",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Chaudhuri:1996:SAC,
author = "R. Chaudhuri and B. Datta and K. Das and D.
Mukherjee",
title = "A Spin-Adapted Coupled-Cluster Based Linear Response
Theory for Double Ionization Potentials",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "347--358",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60597",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Altmann:1996:CAS,
author = "S. L. Altmann",
title = "{Clifford} Algebra, Symmetries, and Vectors",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "359--372",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60598",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Bader:1996:UEC,
author = "R. F. W. Bader and T. A. Keith",
title = "Use of Electron Charge and Current Distributions in
the Determination of Atomic Contributions to Magnetic
Properties",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "373--379",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60599",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Chakrabarti:1996:PLL,
author = "Aparna Chakrabarti and S. Ramasesha",
title = "Properties of the Low-Lying Electronic States of
Phenanthrene: Exact {PPP} Results",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "381--391",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60600",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Cunningham:1996:CBO,
author = "Terence P. Cunningham and David L. Cooper and Joseph
Gerratt and Peter B. Karadakov and Mario Raimondi",
title = "Chemical Bonding in Oxohalides of Hypercoordinate
Nitrogen and Phosphorus",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "393--400",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60601",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Fujimoto:1996:TBC,
author = "Hiroshi Fujimoto and Ken Sakata and Kenichi Fukui",
title = "Transient Bonds and Chemical Reactivity of Molecules",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "401--408",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60602",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Cacelli:1996:DPC,
author = "I. Cacelli and R. Moccia",
title = "Differential Photoionization Cross Section
Calculations for {HI} Using the Random-Phase
Approximation with {$L^2$} Basis Functions",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "409--419",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60604",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Morrison:1996:CBH,
author = "Robert C. Morrison and Wei Tong and Orville W. {Day
Jr.}",
title = "Chemical Bonding in the Hydrogen Molecule",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "421--431",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60605",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{DaSilva:1996:TCG,
author = "Clarissa O. {Da Silva} and F{\'a}bio Eduardo C.
Teixeira and Jos{\'e} Andr{\'e} T. Azevedo and Edilson
C. Da Silva and Marco Antonio Chaer Nascimento",
title = "Theoretical Characterization of the Ground State of
the Alkaline-Earth Monocarbides: Ordering of the Two
Lower-Lying States of the {BeC}, {MgC}, and {CaC}
Molecules",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "433--438",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60606",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Schmider:1996:NSE,
author = "Hartmut Schmider and Jens Peder Dahl",
title = "Nodal Structure of the Electronic {Wigner} Function of
Many-Electron Atoms and Molecules",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "439--452",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60607",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Roeggen:1996:IPS,
author = "I. R{\o}eggen and J. Alml{\"o}f",
title = "Interatomic potential for the {$X^1\Sigma^+_g$} state
of {Be$_2$}",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "453--466",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60608",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Tarroni:1996:LES,
author = "Riccardo Tarroni and Paolo Palmieri and Pavel Rosmus",
title = "On the Lowest Electronic States of the {C$_2$F}
Radical",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "467--473",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60609",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Lamanna:1996:GOS,
author = "Ugo T. Lamanna and Nicola Durante and Carla Guidotti
and Giovanni P. Arrighini",
title = "Generalized Oscillator Strengths of Polyatomic
Molecules. {II}. {NH}$_3$",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "475--486",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60610",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Jaszunski:1996:MCF,
author = "Micha{\l} Jaszu{\'n}ski and Antonio Rizzo",
title = "{MCSCF} Calculation of the Frequency-Dependent
Hyperpolarizability of the Lithium Atom",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "487--492",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60611",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Smeyers:1996:SMO,
author = "Yves G. Smeyers and A. Gonz{\'a}lez-Guerra and J.
Mart{\'\i}n-Gonz{\'a}lez and P. Fern{\'a}ndez-Serra",
title = "A Study of the Molecular Orbital Localization into an
Extended {Hartree--Fock} Approach: Application to the
{BeH$_2$} Ground State",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "493--504",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60612",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Bearpark:1996:PES,
author = "Michael J. Bearpark and Fernando Bernardi and Massimo
Olivucci and Michael A. Robb",
title = "Potential Energy Surfaces of Pseudoaromatic Molecules:
An {MMVB} and {CASSCF} Study of Pentalene",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "505--512",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60613",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Li:1996:BLA,
author = "Xiangzhu Li and Josef Paldus",
title = "Bond Length Alternation in Cyclic Polyenes. {VII}.
Valence Bond Theory Approach",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "513--527",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60615",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Raynes:1996:CCS,
author = "W. T. Raynes and M. Nightingale",
title = "Calculation of $^{13}${C} shielding of the isotopomers
{CH$_3$Cl}, {CH$_2$DCl}, {CHD$_2$Cl}, and {CD$_3$Cl}",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "529--534",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60616",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Chattaraj:1996:ECP,
author = "Pratim K. Chattaraj and Swapan K. Ghosh and Shubin Liu
and Robert G. Parr",
title = "Exchange-Correlation Potential and Excited-State
Density Functional Theory",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "535--543",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60617",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Karadakov:1996:MVB,
author = "Peter B. Karadakov and Joseph Gerratt and David L.
Cooper and Mario Raimondi and Maurizio Sironi",
title = "Modern Valence-Bond Description of the Electronic
Structure of Benzocyclobutadiene",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "545--552",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60618",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Harcourt:1996:IVS,
author = "Richard D. Harcourt",
title = "Increased-Valence Structures and Hypervalent
Molecules",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "553--566",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60619",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Dahl:1996:SAP,
author = "Tor Dahl and Per N. Skancke",
title = "Structural Aspects of a Possible Transannular
Interaction in Silatranes and Azasilatranes: An Ab
Initio Study",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "567--578",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60620",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Measures:1996:MSE,
author = "Peter T. Measures and Neil L. Allan and David L.
Cooper",
title = "Momentum-space electron densities --- localized
orbitals in hydrocarbons, boranes, and transition metal
complexes",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "579--592",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60621",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Gianturco:1996:SSR,
author = "F. A. Gianturco and M. P. {De Lara-Castells}",
title = "Stability and Structure of Rare-Gas Ionic Clusters
Using Density Functional Methods: {A} Study of Helium
Clusters",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "593--608",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60622",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Steiner:1996:RCA,
author = "Erich Steiner and Patrick W. Fowler",
title = "Ring Currents in Aromatic Hydrocarbons",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "609--617",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60623",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Seijo:1996:AGF,
author = "Luis Seijo and Zoila Barandiar{\'a}n",
title = "Applications of the Group-Function Theory to the Field
of Materials Science",
journal = j-IJQC,
volume = "60",
number = "1",
pages = "617--636",
day = "5",
month = oct,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60624",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Anonymous:1996:DSIr,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "60",
number = "2",
pages = "I--??",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Oct 11 05:33:43 MDT 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Guseinov:1996:EOI,
author = "I. I. Guseinov and Aslan {\.I}li{\textperiodcentered}k
and S. I. Allahverdiyev",
title = "On the Evaluation of Overlap Integrals with the Same
Screening Parameters of {Slater}-Type Orbitals Using
Binomial Coefficients",
journal = j-IJQC,
volume = "60",
number = "2",
pages = "637--640",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:25 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60630",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Taseli:1996:ALU,
author = "H. Ta{\c{s}}eli",
title = "Accurate Lower and Upper Bounds of the Energy Spectrum
for the Asymmetrical Two-Well Potentials",
journal = j-IJQC,
volume = "60",
number = "2",
pages = "641--648",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:25 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60631",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Bohm:1996:SMD,
author = "Stanislav B{\"o}hm and Diana Antipova and Josef
Kuthan",
title = "A Study of Methanetriol Decomposition Mechanisms",
journal = j-IJQC,
volume = "60",
number = "2",
pages = "649--655",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:25 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60632",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Tavard:1996:IAR,
author = "C. Tavard and B. Najjari",
title = "Importance of Angular and Radial Electron Correlations
in First {Born} (e,2e) Spectroscopies of Heliumlike
Targets",
journal = j-IJQC,
volume = "60",
number = "2",
pages = "657--665",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:25 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60633",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Cassam-Chenai:1996:ERD,
author = "P. Cassam-Chena{\"\i} and S. K. Wolff and G. S.
Chandler and B. N. Figgis",
title = "Ensemble-representable densities for atoms and
molecules. {II}. {Application} to {CoCl$_4^{2-}$}",
journal = j-IJQC,
volume = "60",
number = "2",
pages = "667--680",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:25 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60634",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Chen:1996:AMS,
author = "P. C. Chen",
title = "Absorption Maxima Study of Chromophores of Indigoid
Dyes",
journal = j-IJQC,
volume = "60",
number = "2",
pages = "681--687",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:25 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60635",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Mesquita:1996:NDC,
author = "Marcus V. Mesquita and {\'A}urea R. Vasconcellos and
Roberto Luzzi",
title = "Near Dissipationless Coherent Excitations in
Biosystems",
journal = j-IJQC,
volume = "60",
number = "2",
pages = "689--697",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:25 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60636",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Mohan:1996:OAC,
author = "C. Gopi Mohan and Anil Kumar and P. C. Mishra",
title = "An Optimized Approach to Compute Hybridization
Displacement Charge and a Study of Its Effects on
Electrostatic Potentials of Some Biologically Important
Molecules",
journal = j-IJQC,
volume = "60",
number = "2",
pages = "699--708",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:25 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60637",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Lippert:1996:DDS,
author = "E. Lippert and J. D. Macomber and L. J. Dunne",
title = "Dynamics During Spectroscopic Transitions-Basic
Concepts",
journal = j-IJQC,
volume = "60",
number = "2",
pages = "709--??",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Micha:1996:SMT,
author = "D. A. Micha",
title = "{\em Statistical Mechanics and Thermodynamics},
{Claude Garrod}",
journal = j-IJQC,
volume = "60",
number = "2",
pages = "711--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{El-Sayed:1996:UPC,
author = "M. A. El-Sayed and I. Tanaka and Y. Molin and J. L.
Krause",
title = "Ultrafast Processes in Chemistry and Photobiology",
journal = j-IJQC,
volume = "60",
number = "2",
pages = "713--??",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Anonymous:1996:DSIs,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "60",
number = "3",
pages = "I--I",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Mar 7 21:33:39 MST 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Gineityte:1996:AWS,
author = "V. Gineityte",
title = "An Alternative Way of Solving Secular Equations for
the {Hamiltonian} Matrices of Regular
Quasi-One-Dimensional Systems",
journal = j-IJQC,
volume = "60",
number = "3",
pages = "717--729",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:27 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60639",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Maki:1996:NLO,
author = "Jun Maki and Hiroya Yamagishi and Takeshi Noro and
Fukashi Sasaki and Yuicihi Yamamoto",
title = "New ``Localized Orbitals'' Appropriate for
{Post-Hartree--Fock} Calculations",
journal = j-IJQC,
volume = "60",
number = "3",
pages = "731--742",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:27 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60640",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Gineityte:1996:SPC,
author = "V. Gineityte",
title = "Secular Polynomials for Chemical Graphs of Alkanes in
Terms of Atoms and Bonds and Their Spectral
Properties",
journal = j-IJQC,
volume = "60",
number = "3",
pages = "743--752",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:27 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60641",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Schreckenbach:1996:CNS,
author = "Georg Schreckenbach and Tom Ziegler",
title = "The Calculation of {NMR} Shielding Tensors Based on
Density Functional Theory and the Frozen-Core
Approximation",
journal = j-IJQC,
volume = "60",
number = "3",
pages = "753--766",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:27 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60642",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Alfredsson:1996:CHF,
author = "Maria Alfredsson and Lars Ojam{\"a}e and K. G.
Hermansson",
title = "A Comparison of {Hartree--Fock}, {MP2}, and {DFT}
Results for the {HCN} Dimer and Crystal",
journal = j-IJQC,
volume = "60",
number = "3",
pages = "767--778",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:27 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60643",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Cundari:1996:SEM,
author = "Thomas R. Cundari and Scot Curtiss",
title = "Substituent Effects on Methane Activation and
Elimination by High-Valent {Zr} Complexes",
journal = j-IJQC,
volume = "60",
number = "3",
pages = "779--788",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:27 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60644",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Karlsson:1996:FCD,
author = "H. O. Karlsson",
title = "{\em Frontiers of Chemical Dynamics}. Edited by {E.
Yurtsever}",
journal = j-IJQC,
volume = "60",
number = "3",
pages = "789--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Bergstrom:1996:QME,
author = "R. Bergstr{\"o}m",
title = "{\em Quantum Mechanical Electronic Structure
Calculations with Chemical Accuracy}. Edited by {S. R.
Langhoff}",
journal = j-IJQC,
volume = "60",
number = "3",
pages = "791--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Anonymous:1996:DSIt,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "60",
number = "4",
pages = "I--I",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Mar 7 21:33:39 MST 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Cook:1996:VO,
author = "David B. Cook",
title = "Virtual Orbitals",
journal = j-IJQC,
volume = "60",
number = "4",
pages = "793--801",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:30 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60646",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Rothstein:1996:VEV,
author = "Stuart M. Rothstein",
title = "Valence Energy in Variational {Monte Carlo}: {CuH}
Dissociation Energy",
journal = j-IJQC,
volume = "60",
number = "4",
pages = "803--808",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:30 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "See erratum \cite{Rothstein:1997:EVE}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60652",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Nada:1996:BSI,
author = "Roberto Nada and John B. Nicholas and Maureen I.
McCarthy and Anthony C. Hess",
title = "Basis Sets for Ab Initio Periodic {Hartree--Fock}
Studies of Zeolite\slash Adsorbate Interactions: {He},
{Ne}, and {Ar} in Silica Sodalite",
journal = j-IJQC,
volume = "60",
number = "4",
pages = "809--820",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:30 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60653",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Bettega:1996:NGG,
author = "M{\'a}rcio H. F. Bettega and Alexandra P. P. Natalense
and Marco A. P. Lima and Luiz G. Ferreira",
title = "Note on the Generation of {Gaussian} Bases for
Pseudopotential Calculations",
journal = j-IJQC,
volume = "60",
number = "4",
pages = "821--824",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:30 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60654",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Sarkar:1996:FIG,
author = "Jayanta Sarkar and Asok K. Mukherjee",
title = "Factorization of Interaction Graphs with $n$-fold
Symmetry: Some Applications in {PPP} Calculation and
Molecular Vibrational Analysis",
journal = j-IJQC,
volume = "60",
number = "4",
pages = "825--832",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:30 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60655",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Zhong:1996:SRM,
author = "Shi-Jun Zhong and Yin-Gui Wang and Qian-Er Zhang",
title = "Symmetry Reduction of the Matrix Elements of a
Two-Particle Operator",
journal = j-IJQC,
volume = "60",
number = "4",
pages = "833--841",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:30 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60656",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Scherbinin:1996:UME,
author = "Andrei V. Scherbinin and Vladimir I. Pupyshev and
Nikolai F. Stepanov",
title = "On the use of multipole expansion of the {Coulomb}
potential in quantum chemistry",
journal = j-IJQC,
volume = "60",
number = "4",
pages = "843--852",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:30 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60657",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Xu:1996:PEC,
author = "Wei-Xing Xu",
title = "Parallel Electron Correlation Effect and {Fermi} Hole
Structure",
journal = j-IJQC,
volume = "60",
number = "4",
pages = "853--857",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:30 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60658",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Mann:1996:IMC,
author = "Matthias Mann and J{\"u}rgen Fabian",
title = "Ab Initio {MO} Calculations on 1,2-Dithietes and
Valence Isomers",
journal = j-IJQC,
volume = "60",
number = "4",
pages = "859--874",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:30 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60659",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Kohout:1996:ASS,
author = "M. Kohout and A. Savin",
title = "Atomic Shell Structure and Electron Numbers",
journal = j-IJQC,
volume = "60",
number = "4",
pages = "875--882",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:30 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60647",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Cartier:1996:CEM,
author = "Alain Cartier and Marilia T. C. Martins-Costa and
Daniel Rinaldi",
title = "Computation of Electronic Molecular Polarizabilities
by a Variational Method at the {CISD} Level",
journal = j-IJQC,
volume = "60",
number = "4",
pages = "883--895",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:30 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60648",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Fang:1996:HBE,
author = "Jian-Yun Fang and Colin Thomson",
title = "Hydrogen-bonding effects, electrostatic potential, and
the antitumor activity of flavone acetic acid and
related compounds. {II}. {Ab} initio studies on the
second stable conformations",
journal = j-IJQC,
volume = "60",
number = "4",
pages = "897--909",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:30 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60649",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Vancampenhout:1996:ECS,
author = "N. Vancampenhout and G. Dive and D. Dehareng",
title = "Energetic and Conformational Study of Four
Benzylimidazole Compounds with $\alpha 2$ Agonist
Profile: The Mivazerol and Three Methylated
Derivatives",
journal = j-IJQC,
volume = "60",
number = "4",
pages = "911--930",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:30 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60650",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Baeten:1996:PAA,
author = "A. Baeten and F. {De Proft} and P. Geerlings",
title = "Proton Affinity of Amino Acids: Their Interpretation
with Density Functional Theory-Based Descriptors",
journal = j-IJQC,
volume = "60",
number = "4",
pages = "931--939",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:30 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60651",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Deumens:1996:QQM,
author = "E. Deumens",
title = "Quaternionic Quantum Mechanics and Quantum Fields. By
{Stephen L. Adler}",
journal = j-IJQC,
volume = "60",
number = "4",
pages = "941--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Guo:1996:AEC,
author = "Xiaofeng Guo and M. Randi{\'c} and D. J. Klein",
title = "Analytical Expressions for the Count of
{LM-Conjugated} Circuits of Benzenoid Hydrocarbons",
journal = j-IJQC,
volume = "60",
number = "5",
pages = "943--958",
day = "5",
month = dec,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:32 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60661",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Sagan:1996:WPG,
author = "Bruce E. Sagan and Yeong-Nan Yeh and Ping Zhang",
title = "The {Wiener} Polynomial of a Graph",
journal = j-IJQC,
volume = "60",
number = "5",
pages = "959--969",
day = "5",
month = dec,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:32 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60668",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Planelles:1996:SHS,
author = "J. Planelles and C. Zicovich-Wilson and W.
Jask{\'o}lski and A. Corma",
title = "Semiempirical {Hamiltonians} for Spatially Confined
$\pi$-Electron Systems",
journal = j-IJQC,
volume = "60",
number = "5",
pages = "971--981",
day = "5",
month = dec,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:32 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60669",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Friis-Jensen:1996:SFA,
author = "Britt Friis-Jensen and Sten Rettrup",
title = "Spin-free approach for evaluation of electronic matrix
elements using character operators of ${\cal {L}_N}$",
journal = j-IJQC,
volume = "60",
number = "5",
pages = "983--991",
day = "5",
month = dec,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:32 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60670",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Rajadell:1996:SBS,
author = "F. Rajadell and J. Planelles and W. Jask{\'o}lski and
C. Zicovich-Wilson",
title = "Selection of Basis Sets for Atoms and Molecules in
Cavities",
journal = j-IJQC,
volume = "60",
number = "5",
pages = "993--999",
day = "5",
month = dec,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:32 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60671",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Ungier:1996:SMT,
author = "W. Ungier and M. Suffcz{\'y}nski",
title = "A Simple Method of Treating Integrals Containing
{Hylleraas--Ore} Molecular Functions",
journal = j-IJQC,
volume = "60",
number = "5",
pages = "1001--1005",
day = "5",
month = dec,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:32 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60672",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Nowek:1996:PHF,
author = "Andrzej Nowek and Jerzy Leszcz{\'y}nski",
title = "Post-{Hartree--Fock} and {DFT} level studies on the
{Cl$_2$ CO} \ldots{} {Cl$_2$} complex: {Accurate}
molecular parameters, harmonic vibrational frequencies,
and interaction energies",
journal = j-IJQC,
volume = "60",
number = "5",
pages = "1007--1013",
day = "5",
month = dec,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:32 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60673",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Sierraalta:1996:LED,
author = "Anibal Sierraalta and Fernando Ruette",
title = "The {Laplacian} of the Electronic Density at the
Valence-Shell Charge Concentration {(VSCC)}: {A}
Comparative Study of Effective Core Potential and
Full-Electron Calculations in {Mo} Compounds. {II}",
journal = j-IJQC,
volume = "60",
number = "5",
pages = "1015--1026",
day = "5",
month = dec,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:32 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60674",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Wasilewski:1996:MVO,
author = "J. Wasilewski and S. Zelek and Ma{\l}gorzata
Wierzbowska",
title = "Modifications of Virtual Orbitals in the Limited {CI}
Calculations for Electron-Rich Molecules",
journal = j-IJQC,
volume = "60",
number = "5",
pages = "1027--1036",
day = "5",
month = dec,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:32 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60675",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Ding:1996:GEP,
author = "Fu-Jiang Ding and Liang-Fu Zhang",
title = "Gauche Effect and {PM3} Calculation of Open-Chain
Polyphosphorus Hydrides",
journal = j-IJQC,
volume = "60",
number = "5",
pages = "1037--1044",
day = "5",
month = dec,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:32 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60662",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Datta:1996:TEEb,
author = "S. N. Datta and D. Tandon and B. Mallik",
title = "Transfer of Excitation Energy in a
Three-Dimensional-Doped Molecular Crystal. {V}.
Self-Consistency of the Temporal Processes Involved in
Energy Transfer in Photosynthetic Units",
journal = j-IJQC,
volume = "60",
number = "5",
pages = "1045--1055",
day = "5",
month = dec,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:32 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60663",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Ming:1996:ROC,
author = "Li Ming",
title = "Role of the Oxygen Content in
{TlBa$_{1.2}$La$_{0.8}${CuO}$_{5+\delta}$}
Superconductors",
journal = j-IJQC,
volume = "60",
number = "5",
pages = "1057--1064",
day = "5",
month = dec,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:32 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60664",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Balaban:1996:HDC,
author = "Alexandru T. Balaban and Douglas J. Klein and William
A. Seitz",
title = "Holes in Diamond or Carbon Nitride Lattices",
journal = j-IJQC,
volume = "60",
number = "5",
pages = "1065--1068",
day = "5",
month = dec,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:32 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60665",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{DeSantanna:1996:MMP,
author = "Carlos M. R. {De Sant'anna} and Ricardo Bicca De
Alencastro and Carlos A. M. Fraga and Eliezer J.
Barreiro and Joaquim Delphino Da Motta Neto",
title = "Molecular Modeling on Platelet-Activating Factor
{(PAF)} and New Proposed {PAF} Antagonists",
journal = j-IJQC,
volume = "60",
number = "5",
pages = "1069--1080",
day = "5",
month = dec,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:32 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60666",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Nakajima:1996:AEH,
author = "Hideo Nakajima and Osamu Kikuchi",
title = "Analysis of Electrostatic and Hydrophobic
Complementarities Between Chymotrypsin and Avian
Ovomucoid Third Domains Using Molecular Electrostatic
Potential: Effect of Residue Replacements",
journal = j-IJQC,
volume = "60",
number = "5",
pages = "1081--1091",
day = "5",
month = dec,
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:32 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60667",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Anonymous:1996:DSIu,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "60",
number = "6",
pages = "XIII--XIII",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Mar 7 21:33:39 MST 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1996:VTCd,
author = "Anonymous",
title = "Volume Table of Contents",
journal = j-IJQC,
volume = "60",
number = "6",
pages = "I--I",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Mar 7 21:33:39 MST 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Field:1996:RJC,
author = "M. Field and J. Gao",
title = "Report for the {Joint CECAM-NSF Planning Meeting}",
journal = j-IJQC,
volume = "60",
number = "6",
pages = "1093--??",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Matsubara:1996:TNI,
author = "Toshiaki Matsubara and Stefan Sieber and Keiji
Morokuma",
title = "A Test of the New ``Integrated {MO} $+$ {MM}''
({IMOMM}) Method for the Conformational Energy of
Ethane and $n$-Butane",
journal = j-IJQC,
volume = "60",
number = "6",
pages = "1101--1109",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:34 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60677",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{VanDuijnen:1996:DRF,
author = "Piet Th. {Van Duijnen} and Alex H. de Vries",
title = "Direct Reaction Field Force Field: {A} Consistent Way
to Connect and Combine Quantum-Chemical and Classical
Descriptions of Molecules",
journal = j-IJQC,
volume = "60",
number = "6",
pages = "1111--1132",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:34 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60678",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Thompson:1996:MDS,
author = "Mark A. Thompson",
title = "Molecular dynamics study of a new rigidified
18-crown-6 derivative using a {QM\slash MM} method",
journal = j-IJQC,
volume = "60",
number = "6",
pages = "1133--1141",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:34 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60679",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Grochowski:1996:DFB,
author = "P. Grochowski and B. Lesyng and P. Bala and J. A.
McCammon",
title = "Density Functional Based Parametrization of a Valence
Bond Method and Its Applications in Quantum-Classical
Molecular Dynamics Simulations of Enzymatic Reactions",
journal = j-IJQC,
volume = "60",
number = "6",
pages = "1143--1164",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:34 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60680",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Cammi:1996:EED,
author = "Roberto Cammi and Maurizio Cossi and Benedetta
Mennucci and Christian Silvio Pomelli and Jacopo
Tomasi",
title = "Energy and Energy Derivatives for Molecular Solutes:
Perspectives of Application to Hybrid Quantum and
Molecular Methods",
journal = j-IJQC,
volume = "60",
number = "6",
pages = "1165--1178",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:34 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60681",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Orozco:1996:TRS,
author = "Modesto Orozco and J. M. L{\'o}pez and C. Colomines
and C. Alhambra and M. A. Busquets and F. J. Luque",
title = "Theoretical Representation of Solvation in Biochemical
Systems: From Discrete Solute-Solvent Interactions to
Bulk Solvation",
journal = j-IJQC,
volume = "60",
number = "6",
pages = "1179--1187",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:34 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60682",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Eurenius:1996:EMH,
author = "Kirsten P. Eurenius and David C. Chatfield and Bernard
R. Brooks and Milan Hodoscek",
title = "Enzyme Mechanisms with Hybrid Quantum and Molecular
Mechanical Potentials. {I}. Theoretical
Considerations",
journal = j-IJQC,
volume = "60",
number = "6",
pages = "1189--1200",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:34 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60683",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Anonymous:1996:VTPd,
author = "Anonymous",
title = "Volume Title Page",
journal = j-IJQC,
volume = "60",
number = "6",
pages = "1201--??",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Mar 7 21:33:39 MST 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Levitina:1996:PWNa,
author = "T. Levitina and E. J. Br{\"a}ndas",
title = "Partial Waves in the Nonspherical Case",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "5--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Kawabe:1996:PIMa,
author = "H. Kawabe and H. Nagao and K. Nishikawa",
title = "Path Integral {Monte Carlo} Method for Ab Initio
Calculation",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "11--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Hagmann:1996:ENMa,
author = "M. J. Hagmann",
title = "Efficient Numerical Method for Finding the Initial
Response of Quantum Processes to Changes in the
Potential",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "19--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Zakrzewski:1996:DARa,
author = "V. J. Zakrzewski and O. Dolgounitcheva and J. V.
Ortiz",
title = "Direct Algorithm for the Random-Phase Approximation",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "29--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Rincon:1996:CCCa,
author = "L. Rincon",
title = "Computation of Curve-Crossing Diagrams by Approximate
Valence Bond Method",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "37--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Jones:1996:EAFa,
author = "H. W. Jones and J. L. Jain",
title = "Evaluation of the Alpha-Function for Large Parameter
Values",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "45--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Nagao:1996:NTMa,
author = "H. Nagao and K. Kodama and Y. Shigeta and N.
Nishikawa",
title = "Nonadiabatic Treatment of Molecular Systems by the
Wavepackets Method",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "49--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Seminario:1996:CIFa,
author = "J. M. Seminario",
title = "Calculation of Intramolecular Force Fields from
Second-Derivative Tensors",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "59--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Adams:1996:IPTa,
author = "W. H. Adams",
title = "Intermolecular Perturbation Theory: Renormalized
Interaction Energies",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "67--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Nagao:1996:MEWa,
author = "H. Nagao and M. Nakano and S. Yamanaka and S. Yamada",
title = "Many-Electron-Wavepackets Method",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "79--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Nagaoka:1996:SPIa,
author = "M. Nagaoka",
title = "Stochastic Path-Integral Method for Chemical Reaction
Dynamics: Application to the Full {3D} {H$_3$} System",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "91--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Koures:1996:SCQa,
author = "V. G. Koures and F. E. Harris",
title = "Sinc Collocation in Quantum Chemistry: Solving the
Planar {Coulomb Schr{\"o}dinger} Equation",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "99--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Ten-No:1996:AERa,
author = "S. Ten-No and S. Iwata",
title = "On Approximating Electron Repulsion Integrals with
Linear Combination of Atomic-Electron Distributions",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "107--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Wenzel:1996:MBSa,
author = "W. Wenzel and M. M. Steiner and K. G. Wilson",
title = "Multireference Basis-Set Reduction",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "113--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Broo:1996:BSCa,
author = "A. Broo",
title = "Basis Set and Correlation Effects on Geometry of
Octahedral Second-Row Transition-Metal Complexes",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "119--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Boettger:1996:GFFa,
author = "J. C. Boettger",
title = "{Gaussian} Fitting Function Basis Sets for Crystalline
Silicon: Bond-Centered $s$-Type vs. Site-Centered
$f$-Type",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "133--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Seminario:1996:RETa,
author = "J. M. Seminario and P. Politzer and H. J. M. Soscun
and A. G. Zacarias",
title = "Reaction Energetics of Tetrahedrane and Other
Hydrocarbons: Ab Initio and Density Functional
Treatments",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "139--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Ziesche:1996:ATPa,
author = "P. Ziesche",
title = "Attempts Toward a Pair Density Functional Theory",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "149--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Gritsenko:1996:OMEa,
author = "O. V. Gritsenko and R. {Van Leeuwen} and E. J.
Baerends",
title = "On the Optimal Mixing of the Exchange Energy and the
Electron-Electron Interaction Part of the
Exchange-Correlation Energy",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "163--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Schulz:1996:RAMa,
author = "L. Schulz and H. Chojnacki",
title = "Resemblance Analysis of Molecular Systems on the
Grounds of {DFT}-Evaluated Parameters. Platinum
Complexes and Their Anticancer Activity",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "173--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Peterslika:1996:SME,
author = "M. Peterslika and E. K. U. Gross",
title = "Spin-Multiplet Energies from Time-Dependent Density
Functional Theory",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "181--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Ivanov:1996:SMLa,
author = "S. Ivanov",
title = "Simple Modification of the {Lee--Yang--Parr}
Correlation Functional to Satisfy Exact Nonuniform
Scaling Requirements",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "191--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Boegel:1996:DCAa,
author = "H. Boegel and S. Tobisch",
title = "{DFT} Calculations of Alternative Structures in the
Allyl-Nickel Catalyzed Polymerization of Butadiene",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "197--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Zacarias:1996:DFSa,
author = "A. Zacarias and M. Castro",
title = "Density Functional Study of {Fe$_2$-N$_2$}",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "207--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Sosa:1996:ESPa,
author = "R. M. Sosa and P. Gardiol",
title = "Electronic Structure and Properties of {MCO} and
{M$_5$CO} Carbonyls ({M} $=$ {Fe}, {Ni}, {Cu}) by
Density Functional Methods",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "217--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Heinonen:1996:EDFa,
author = "O. Heinonen and M. I. Lubin and M. D. Johnson",
title = "Ensemble Density Functional Theory for Inhomogeneous
Fractional Quantum {Hall} Systems",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "231--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Eguiluz:1996:LRQa,
author = "A. G. Eguiluz",
title = "Linear Response and Quasiparticle Calculations as
Probes of the {Kohn--Sham} Eigenvalues in Metals",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "245--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{DaCosta:1996:IPLa,
author = "H. F. M. DaCosta and D. A. Micha and K. Runge",
title = "Intensity and Polarization of Light Emitted in Slow
Ion-Atom Collisions",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "257--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Guo:1996:HQCa,
author = "H. Guo and L. Liu",
title = "Hybrid Quantum\slash Classical Studies of
Photodissociation and Recombination of {I$_2$(A)} in
Rare Gas Matrices: {A} Linear Chain Model",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "267--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Flamant:1996:FSAa,
author = "L. Flamant and J. G. Fripiat and J. Delhalle",
title = "{Fourier} Space for Accurate Ab Initio {RHF} Band
Structure Calculations on Chainlike Systems",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "275--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Das:1996:IDTa,
author = "G. P. Das and A. T. Yeates and D. S. Dudis",
title = "Iodine-Doped Transpolyacetylene",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "287--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Deleuze:1996:TSXa,
author = "M. Deleuze and J. Delhalle",
title = "Theoretical Study of the {X}-ray Photoionization
Spectra of Polycycloalkanes",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "293--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Arteca:1996:MSTa,
author = "G. A. Arteca",
title = "Molecular Shape Transitions in Grafted Polymers Under
Geometrical Confinement",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "303--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Gorb:1996:MLSa,
author = "L. G. Gorb and J.-L. Rivail and V. Thery and D.
Rinaldi",
title = "Modification of the Local Self-Consistent Field Method
for Modeling Surface Reactivity of Covalent Solids",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "313--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Vieira:1996:SECa,
author = "A. Vieira and C. Fiolhais and M. Brajczewska and J. P.
Perdew",
title = "Self-Expansion and Compression of Charged Clusters of
Stabilized Jellium",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "325--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{March:1996:FERa,
author = "N. H. March and A. M. L. Nip and J. A. Tuszynski",
title = "Free Energy in Relation to Order Parameter in Magnets
and Pyroelectrics",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "337--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Lino:1996:BCDa,
author = "A. T. Lino and E. K. Takahashi and L. M. R. Scolfaro
and J. R. Leite",
title = "Behavior of Carriers in e-Doped Quantum Wells Under
In-Plane Magnetic Fields",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "347--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Lee:1996:CSLa,
author = "S.-L. Lee and M.-L. Sun and Z. Slanina",
title = "Computational Studies of Less Common Fullerene-Related
Species",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "355--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Yan:1996:IIRa,
author = "J.-M. Yan and C.-B. Zhu and Z.-J. Xu",
title = "Investigation on the Interaction and the Rotation of
{C$_{60}$} in Alkali-Doped Complexes {${\rm A}_x{\rm
A}'_{3-x}{\rm C}_{60}$} (${\rm X} = 1, 2, 3$; ${\rm A},
{\rm A}' =$ Alkali)",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "365--371",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Stavrev:1996:CTMa,
author = "K. K. Stavrev and T. Tamm and M. C. Zerner",
title = "Comparison of Theoretical Models of Solvation",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "373--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{McGill:1996:UTDa,
author = "R. A. McGill and J. K. Rice and A. R. Baronavski and
J. C. Owrutsky",
title = "Using Theoretical Descriptors to Model Solvent Effects
in the Isomerization of cis-Stilbene",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "383--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Watanabe:1996:DPTa,
author = "H. Watanabe and S. Iwata",
title = "Does the Proton-Transfer Reaction Take Place in the
Ground State of Phenol-({H}$_2${O})$_4$ Clusters?",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "395--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Truong:1996:GCLa,
author = "T. N. Truong and U. N. Nguyen and E. V. Stefanovich",
title = "Generalized Conductor-like Screening Model ({GCOSMO})
for Solvation: An Assessment of Its Accuracy and
Applicability",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "403--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Tong:1996:ACBa,
author = "W. Tong and R. C. Morrison and O. W. Day",
title = "Analysis of Chemical Bonding in {C$_2$} Using {Dyson}
Orbitals",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "411--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Doerksen:1996:PHMa,
author = "R. J. Doerksen and A. J. Thakkar",
title = "Polarizabilities of Heteroaromatic Molecules: Azines
Revisited",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "421--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Zhang:1996:NHHa,
author = "L. Zhang and P. Winkler",
title = "Negative Hydrogen and Helium in a Variety of {Debye}
Plasmas",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "431--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{CostaCabral:1996:CPEa,
author = "B. J. {Costa Cabral}",
title = "Condensed-Phase Effects on the Conformational
Equilibrium of Ethylene Glycol",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "439--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Grein:1996:SFTa,
author = "F. Grein and M. R. J. Hachey",
title = "The $a, a^*$ State in Formaldehyde and
Thioformaldehyde",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "449--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Boudreaux:1996:SMCa,
author = "E. A. Boudreaux",
title = "{SCMEH-MO} Calculations on Lanthanide Systems. {III}.
{Ln({CO})$_6$}, {Ln({OC})$_6$} ({Ln} $=$ {Nd}, {Sm})",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "461--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Lushington:1996:ETMa,
author = "G. H. Lushington and F. Grein",
title = "The Electronic $g$-Tensor of {MgF}: {A} Comparison of
{ROHF} and {MRD-CI} Level Results",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "467--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Chelkowski:1996:WFSa,
author = "S. Chelkowski and A. D. Bandrauk",
title = "Wave-Function Splitting Technique for Calculating
Above-Threshold Ionization Electron Spectra",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "473--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Huang:1996:KPMa,
author = "L. Huang and L. Massa and J. Karle",
title = "Kernel Projector Matrices for Leu$^1$-Zervamicin",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "479--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Koizumi:1996:FMCa,
author = "H. Koizumi and Y. Fukumoto",
title = "Fission of Metal Clusters: {A} Comparison of Jellium
Model Calculations and Shell Correction Method
Calculations",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "489--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Chen:1996:CTCa,
author = "C. Chen and K.-C. Sun",
title = "Comparisons of the Theoretical Calculation of Nitrogen
Clusters by Semiempirical {MO} Method",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "497--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Elabsy:1996:CESa,
author = "A. M. Elabsy and P. Csavinszky",
title = "Combined Effect of the Screening of a Donor Ion and
the Conduction Band Nonparabolicity on the Binding
Energy of a Donor at the Center of a Spherical Quantum
Dot",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "507--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Levitina:1996:PWNb,
author = "T. Levitina and E. J. Br{\"a}ndas",
title = "Partial waves in the nonspherical case",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1217--1221",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60685",
acknowledgement = ack-nhfb,
}
@Article{Kawabe:1996:PIMb,
author = "H. Kawabe and H. Nagao and K. Nishikawa",
title = "Path integral {Monte Carlo} method for ab initio
calculation",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1223--1230",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60696",
acknowledgement = ack-nhfb,
}
@Article{Hagmann:1996:ENMb,
author = "Mark J. Hagmann",
title = "Efficient numerical method for finding the initial
response of quantum processes to changes in the
potential",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1231--1239",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60707",
acknowledgement = ack-nhfb,
}
@Article{Zakrzewski:1996:DARb,
author = "V. G. Zakrzewski and O. Dolgounitcheva and J. V.
Ortiz",
title = "Direct algorithm for the random-phase approximation",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1241--1247",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60718",
acknowledgement = ack-nhfb,
}
@Article{Rincon:1996:CCCb,
author = "Luis Rinc{\'o}n",
title = "Computation of curve-crossing diagrams by approximate
valence bond method",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1249--1256",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60729",
acknowledgement = ack-nhfb,
}
@Article{Jones:1996:EAFb,
author = "H. W. Jones and J. L. Jain",
title = "Evaluation of the alpha-function for large parameter
values",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1257--1260",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60736",
acknowledgement = ack-nhfb,
}
@Article{Nagao:1996:NTMb,
author = "H. Nagao and K. Kodama and Y. Shigeta and K. Nishikawa
and H. Kawabe and M. Nakano and K. Yamaguchi",
title = "Nonadiabatic treatment of molecular systems by the
wavepackets method",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1261--1270",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60737",
acknowledgement = ack-nhfb,
}
@Article{Seminario:1996:CIFb,
author = "Jorge M. Seminario",
title = "Calculation of intramolecular force fields from
second-derivative tensors",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1271--1277",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60738",
acknowledgement = ack-nhfb,
}
@Article{Adams:1996:IPTb,
author = "William H. Adams",
title = "Intermolecular perturbation theory: {Renormalized}
interaction energies",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1279--1289",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60739",
acknowledgement = ack-nhfb,
}
@Article{Nagao:1996:MEWb,
author = "H. Nagao and M. Nakano and S. Yamanaka and S. Yamada
and D. Yamaki and I. Shigemoto and S. Kiribayashi and
K. Yamaguchi and Y. Shigeta",
title = "Many-electron-wavepackets method",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1291--1301",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60686",
acknowledgement = ack-nhfb,
}
@Article{Nagaoka:1996:SPIb,
author = "Masataka Nagaoka",
title = "Stochastic path-integral method for chemical reaction
dynamics: {Application} to the full {3D H$_3$} system",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1303--1310",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60687",
acknowledgement = ack-nhfb,
}
@Article{Koures:1996:SCQb,
author = "Vasilios G. Koures and Frank E. Harris",
title = "Sinc collocation in quantum chemistry: {Solving} the
planar {Coulomb} {Schr{\"o}dinger} equation",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1311--1318",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60688",
acknowledgement = ack-nhfb,
}
@Article{Ten-No:1996:AERb,
author = "Seiichiro Ten-No and Suehiro Iwata",
title = "On approximating electron repulsion integrals with
linear combination of atomic-electron distributions",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1319--1324",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60689",
acknowledgement = ack-nhfb,
}
@Article{Wenzel:1996:MBSb,
author = "Wolfgang Wenzel and Matthew M. Steiner and Kenneth G.
Wilson",
title = "Multireference basis-set reduction",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1325--1330",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60690",
acknowledgement = ack-nhfb,
}
@Article{Broo:1996:BSCb,
author = "Anders Broo",
title = "Basis set and correlation effects on geometry of
octahedral second-row transition-metal complexes",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1331--1343",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60691",
acknowledgement = ack-nhfb,
}
@Article{Boettger:1996:GFFb,
author = "Jonathan C. Boettger",
title = "{Gaussian} fitting function basis sets for crystalline
silicon: {Bond}-centered $s$-type vs. site-centered
$f$-type",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1345--1349",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60692",
acknowledgement = ack-nhfb,
}
@Article{Seminario:1996:RETb,
author = "Jorge M. Seminario and Peter Politzer and Humberto J.
Soscun M. and Ang{\'e}lica G. Zacar{\'\i}as and Miguel
Castro",
title = "Reaction energetics of tetrahedrane and other
hydrocarbons: {Ab} initio and density functional
treatments",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1351--1360",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60693",
acknowledgement = ack-nhfb,
}
@Article{Ziesche:1996:ATPb,
author = "Paul Ziesche",
title = "Attempts toward a pair density functional theory",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1361--1374",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60694",
acknowledgement = ack-nhfb,
}
@Article{Gritsenko:1996:OMEb,
author = "Oleg V. Gritsenko and Robert {Van Leeuwen} and Evert
Jan Baerends",
title = "On the optimal mixing of the exchange energy and the
electron-electron interaction part of the
exchange-correlation energy",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1375--1384",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60695",
acknowledgement = ack-nhfb,
}
@Article{Schulz:1996:RAMb,
author = "L. Schulz and H. Chojnacki",
title = "Resemblance analysis of molecular systems on the
grounds of {DFT}-evaluated parameters. {Platinum}
complexes and their anticancer activity",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1385--1391",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60697",
acknowledgement = ack-nhfb,
}
@Article{Petersilka:1996:SMEa,
author = "M. Petersilka and E. K. U. Gross",
title = "Spin-multiplet energies from time-dependent density
functional theory",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1393--1401",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60698",
acknowledgement = ack-nhfb,
}
@Article{Ivanov:1996:SMLb,
author = "Stanislav Ivanov",
title = "Simple modification of the {Lee--Yang--Parr}
correlation functional to satisfy exact nonuniform
scaling requirements",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1403--1407",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "See erratum \cite{Ivanov:1997:ESM}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60699",
acknowledgement = ack-nhfb,
}
@Article{Boegel:1996:DCAb,
author = "H. Boegel and S. Tobisch",
title = "{DFT} calculations of alternative structures in the
allyl-nickel catalyzed polymerization of butadiene",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1409--1417",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60700",
acknowledgement = ack-nhfb,
}
@Article{Zacarias:1996:DFSb,
author = "Angelica Zacarias and Miguel Castro",
title = "Density functional study of {Fe$_2$-N$_2$}",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1419--1428",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60701",
acknowledgement = ack-nhfb,
}
@Article{Sosa:1996:ESPb,
author = "Ramon M. Sosa and Patricia Gardiol",
title = "Electronic structure and properties of {MCO} and
{M$_5$CO} carbonyls ({M} = {Fe}, {Ni}, {Cu}) by density
functional methods",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1429--1441",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60702",
acknowledgement = ack-nhfb,
}
@Article{Heinonen:1996:EDFb,
author = "O. Heinonen and M. I. Lubin and M. D. Johnson",
title = "Ensemble density functional theory for inhomogeneous
fractional quantum {Hall} systems",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1443--1455",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60703",
acknowledgement = ack-nhfb,
}
@Article{Eguiluz:1996:LRQb,
author = "Adolfo G. Eguiluz",
title = "Linear response and quasiparticle calculations as
probes of the {Kohn--Sham} eigenvalues in metals",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1457--1468",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60704",
acknowledgement = ack-nhfb,
}
@Article{DaCosta:1996:IPLb,
author = "Herbert F. M. DaCosta and David A. Micha and Keith
Runge",
title = "Intensity and polarization of light emitted in slow
ion-atom collisions",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1469--1477",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60705",
acknowledgement = ack-nhfb,
}
@Article{Guo:1996:HQCb,
author = "Hua Guo and Li Liu",
title = "Hybrid quantum\slash classical studies of
photodissociation and recombination of {I$_2(A)$} in
rare gas matrices: {A} linear chain model",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1479--1486",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60706",
acknowledgement = ack-nhfb,
}
@Article{Flamant:1996:FSAb,
author = "I. Flamant and J. G. Fripiat and J. Delhalle",
title = "{Fourier} space for accurate ab initio {RHF} band
structure calculations on chainlike systems",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1487--1497",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60708",
acknowledgement = ack-nhfb,
}
@Article{Das:1996:IDTb,
author = "G. P. Das and A. T. Yeates and D. S. Dudis",
title = "Iodine-doped transpolyacetylene",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1499--1504",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60709",
acknowledgement = ack-nhfb,
}
@Article{Deleuze:1996:TSXb,
author = "M. Deleuze and J. Delhalle",
title = "Theoretical study of the {X}-ray photoionization
spectra of polycycloalkanes",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1505--1514",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60710",
acknowledgement = ack-nhfb,
}
@Article{Arteca:1996:MSTb,
author = "Gustavo A. Arteca",
title = "Molecular shape transitions in grafted polymers under
geometrical confinement",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1515--1523",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60711",
acknowledgement = ack-nhfb,
}
@Article{Gorb:1996:MLSb,
author = "L. G. Gorb and J.-L. Rivail and V. Thery and D.
Rinaldi",
title = "Modification of the local self-consistent field method
for modeling surface reactivity of covalent solids",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1525--1536",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60712",
acknowledgement = ack-nhfb,
}
@Article{Vieira:1996:SECb,
author = "Armando Vieira and Carlos Fiolhais and Marta
Brajczewska and John P. Perdew",
title = "Self-expansion and compression of charged clusters of
stabilized jellium",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1537--1548",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60713",
acknowledgement = ack-nhfb,
}
@Article{March:1996:FERb,
author = "N. H. March and A. M. L. Nip and J. A. Tuszy{\'n}ski",
title = "Free energy in relation to order parameter in magnets
and pyroelectrics",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1549--1558",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60714",
acknowledgement = ack-nhfb,
}
@Article{Lino:1996:BCDb,
author = "A. T. Lino and E. K. Takahashi and L. M. R. Scolfaro
and J. R. Leite",
title = "Behavior of carriers in $\delta$-doped quantum wells
under in-plane magnetic fields",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1559--1566",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60715",
acknowledgement = ack-nhfb,
}
@Article{Lee:1996:CSLb,
author = "Shyi-Long Lee and Mei-Ling Sun and Zden\v{e}k
Slanina",
title = "Computational studies of less common fullerene-related
species",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1567--1576",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60716",
acknowledgement = ack-nhfb,
}
@Article{Yan:1996:IIRb,
author = "Ji-Min Yan and Chuan-Bao Zhu and Zhi-Jin Xu",
title = "Investigation on the interaction on and the rotation
of {C$_{60}$} in alkali-doped complexes {A$_X$
A$\prime_{3-X}$C$_{60}$ (X = 1, 2, 3; A, A$\prime$ =
alkali)}",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1577--1583",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60717",
acknowledgement = ack-nhfb,
}
@Article{Stavrev:1996:CTMb,
author = "Krassimir K. Stavrev and Toomas Tamm and Michael C.
Zerner",
title = "Comparison of theoretical models of solvation",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1585--1594",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60719",
acknowledgement = ack-nhfb,
}
@Article{McGill:1996:UTDb,
author = "R. Andrew McGill and Jane K. Rice and A. P. Baronavski
and J. C. Owrutsky and Alfred H. Lowrey and Krassimir
K. Stavrev and Toomas Tamm and Michael C. Zerner",
title = "Using theoretical descriptors to model solvent effects
in the isomerization of {\em cis\/}-stilbene",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1595--1606",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60720",
acknowledgement = ack-nhfb,
}
@Article{Watanabe:1996:DPTb,
author = "Hidekazu Watanabe and Suehiro Iwata",
title = "Does the proton-transfer reaction take place in the
ground state of {phenol\singlebond{}(H$_2$ O)$_4$}
clusters?",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1607--1613",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60721",
acknowledgement = ack-nhfb,
}
@Article{Truong:1996:GCLb,
author = "Thanh N. Truong and Uyen N. Nguyen and Eugene V.
Stefanovich",
title = "Generalized conductor-like screening model {(GCOSMO)}
for solvation: {An} assessment of its accuracy and
applicability",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1615--1622",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60722",
acknowledgement = ack-nhfb,
}
@Article{Tong:1996:ACBb,
author = "Wei Tong and Robert C. Morrison and Orville W. {Day
Jr.}",
title = "Analysis of chemical bonding in {C$_2$} using {Dyson}
orbitals",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1623--1631",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60723",
acknowledgement = ack-nhfb,
}
@Article{Doerksen:1996:PHMb,
author = "Robert J. Doerksen and Ajit J. Thakkar",
title = "Polarizabilities of heteroaromatic molecules: {Azines}
revisited",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1633--1642",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60724",
acknowledgement = ack-nhfb,
}
@Article{Zhang:1996:NHHb,
author = "Li Zhang and Peter Winkler",
title = "Negative hydrogen and helium in a variety of {Debye}
plasmas",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1643--1650",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60725",
acknowledgement = ack-nhfb,
}
@Article{Cabral:1996:CPE,
author = "B. J. Costa Cabral",
title = "Condensed-phase effects on the conformational
equilibrium of ethylene glycol",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1651--1660",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60726",
acknowledgement = ack-nhfb,
}
@Article{Grein:1996:SFTb,
author = "F. Grein and M. R. J. Hachey",
title = "The $\pi, \pi^*$ state in formaldehyde and
thioformaldehyde",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1661--1671",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60727",
acknowledgement = ack-nhfb,
}
@Article{Boudreaux:1996:SMCb,
author = "Edward A. Boudreaux",
title = "{SCMEH-MO} calculations on lanthanide systems. {III}.
{Ln(CO)$_6$}, {Ln(OC)$_6$ (Ln = Nd, Sm)}",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1673--1677",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60728",
acknowledgement = ack-nhfb,
}
@Article{Lushington:1996:ETMb,
author = "G. H. Lushington and F. Grein",
title = "The electronic $g$-tensor of {MgF}: {A} comparison of
{ROHF} and {MRD--CI} level results",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1679--1684",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60730",
acknowledgement = ack-nhfb,
}
@Article{Chelkowski:1996:WFSb,
author = "S. Chelkowski and A. D. Bandrauk",
title = "Wave-function splitting technique for calculating
above-threshold ionization electron spectra",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1685--1689",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60731",
acknowledgement = ack-nhfb,
}
@Article{Huang:1996:KPMb,
author = "L. Huang and L. Massa and J. Karle",
title = "Kernel projector matrices for
leu$^1$\singlebond{}zervamicin",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1691--1700",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60732",
acknowledgement = ack-nhfb,
}
@Article{Koizumi:1996:FMCb,
author = "Hiroyasu Koizumi and Yuji Fukumoto",
title = "Fission of metal clusters: {A} comparison of jellium
model calculations and shell correction method
calculations",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1701--1707",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60733",
acknowledgement = ack-nhfb,
}
@Article{Chen:1996:CTCb,
author = "Cheng Chen and Kuang-Chung Sun",
title = "Comparisons of the theoretical calculation of nitrogen
clusters by semiempirical {MO} method",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1709--1718",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60734",
acknowledgement = ack-nhfb,
}
@Article{Elabsy:1996:CESb,
author = "A. M. Elabsy and P. Csavinszky",
title = "Combined effect of the screening of a donor ion and
the conduction band nonparabolicity on the binding
energy of a donor at the center of a spherical quantum
dot",
journal = j-IJQC,
volume = "60",
number = "7",
pages = "1719--1722",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:37 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60735",
acknowledgement = ack-nhfb,
}
@Article{Ramek:1996:CISa,
author = "M. Ramek and S. Tomic and B. Kojic-Prodic",
title = "Comparative Ab Initio {SCF} Conformational Study of
4-Chloro-indole-3-acetic Acid and Indole-3-acetic Acid
Phytohormones (Auxins)",
journal = j-IJQC,
volume = "60",
number = "8",
pages = "3--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Kim:1996:UPIa,
author = "N. S. Kim and Q. Jiang and P. R. Lebreton",
title = "{UV} Photoelectron and Ab Initio Quantum Mechanical
Characterization of Nucleotides: The Valence Electronic
Structure of Anionic 2'-Deoxyadenosine-5'-phosphate",
journal = j-IJQC,
volume = "60",
number = "8",
pages = "11--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Broch:1996:IMIa,
author = "H. Broch and A. Hamza and D. Vasilescu",
title = "Ab Initio Modeling of the Interaction Between
Guanine-Cytosine Base Pair and Mustard Alkylating
Agents",
journal = j-IJQC,
volume = "60",
number = "8",
pages = "21--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Maran:1996:CAIa,
author = "U. Maran and M. Karelson and A. R. Katritzky",
title = "A Comparative {AM1} and Ab Initio Study of the
Intramolecular Proton Transfer in Tautomeric Organic
Compounds",
journal = j-IJQC,
volume = "60",
number = "8",
pages = "41--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Brewster:1996:ABMa,
author = "M. E. Brewster and E. Pop and M.-J. Huang and N.
Bodor",
title = "{AM1}-Based Model System for Estimation of Brain\slash
Blood Concentration Ratios",
journal = j-IJQC,
volume = "60",
number = "8",
pages = "51--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Priyadarshy:1996:DDHa,
author = "S. Priyadarshy and D. N. Betatan and S. M. Risser",
title = "{DNA} Double-Helix-Mediated Long-Range Electron
Transfer",
journal = j-IJQC,
volume = "60",
number = "8",
pages = "65--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Bagdassarian:1996:QMMa,
author = "C. K. Bagdassarian and B. B. Braunhelm and V. L.
Schramm and S. D. Schwartz",
title = "Quantitative Measures of Molecular Similarity: Methods
to Analyze Transition-State Analogs for Enzymatic
Reactions",
journal = j-IJQC,
volume = "60",
number = "8",
pages = "73--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Schramm:1996:ETSa,
author = "V. L. Schramm and B. A. Horenstein and C. K.
Bagdassarian and S. D. Schwartz",
title = "Enzymatic Transition States and Inhibitor Design from
Principles of Classical and Quantum Chemistry",
journal = j-IJQC,
volume = "60",
number = "8",
pages = "81--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Jacchieri:1996:CECa,
author = "S. G. Jacchieri and M. Gomes and A. C. M. Camargo and
L. Juliano",
title = "Cross Examination of the Conformational Spaces of a
Set of Peptide Chains: Study of Oligopeptidase Action",
journal = j-IJQC,
volume = "60",
number = "8",
pages = "91--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Pop:1996:ARTa,
author = "E. Pop and S. Rachwal and M. E. Brewster",
title = "Allylic Rearrangement of trans-Pinocarveol Esters",
journal = j-IJQC,
volume = "60",
number = "8",
pages = "105--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{DeSantAnna:1996:SSPa,
author = "C. M. R. {De Sant'Anna} and R. B. {De Alencastro} and
C. R. Rodrigues and G. Barreito",
title = "A Semiempirical Study of Pyrazole Acylhydrazones as
Potential Antimalarial Agents",
journal = j-IJQC,
volume = "60",
number = "8",
pages = "111--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Molnar:1996:CDTa,
author = "S. P. Molnar and J. W. King",
title = "Correlation of Dermal Transport with Structure via the
Integrated Molecular Transform",
journal = j-IJQC,
volume = "60",
number = "8",
pages = "121--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Randic:1996:BPCa,
author = "M. Randi{\'c} and G. Krilov",
title = "Bond Profiles for Cuboctahedron and Twist
Cuboctahedron",
journal = j-IJQC,
volume = "60",
number = "8",
pages = "127--??",
year = "1996",
CODEN = "IJQCB2",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Ramek:1996:CISb,
author = "Michael Ramek and Sanja Tomi{\'c} and Biserka
Koji{\'c}-Prodi{\'c}",
title = "Comparative ab initio {SCF} conformational study of
4-chloro-indole-3-acetic acid and indole-3-acetic acid
phytohormones (auxins)",
journal = j-IJQC,
volume = "60",
number = "8",
pages = "1727--1733",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:39 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60741",
acknowledgement = ack-nhfb,
}
@Article{Kim:1996:UPIb,
author = "Nancy S. Kim and Qing Jiang and Pierre R. Lebreton",
title = "{UV} photoelectron and ab initio quantum mechanical
characterization of nucleotides: {The} valence
electronic structure of anionic
2$\prime$-deoxyadenosine-5$\prime$-phosphate",
journal = j-IJQC,
volume = "60",
number = "8",
pages = "1735--1743",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:39 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60746",
acknowledgement = ack-nhfb,
}
@Article{Broch:1996:IMIb,
author = "H. Broch and A. Hamza and D. Vasilescu",
title = "Ab initio modeling of the interaction between
guanine-cytosine base pair and mustard alkylating
agents",
journal = j-IJQC,
volume = "60",
number = "8",
pages = "1745--1764",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:39 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60747",
acknowledgement = ack-nhfb,
}
@Article{Maran:1996:CAIb,
author = "Uko Maran and Mati Karelson and Alan R. Katritzky",
title = "A comparative {AM1} and ab initio study of the
intramolecular proton transfer in tautomeric organic
compounds",
journal = j-IJQC,
volume = "60",
number = "8",
pages = "1765--1773",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:39 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60748",
acknowledgement = ack-nhfb,
}
@Article{Brewster:1996:ABMb,
author = "Marcus E. Brewster and Emil Pop and Ming-Ju Huang and
Nicholas Bodor",
title = "{AM1}-based model system for estimation of brain /
blood concentration ratios",
journal = j-IJQC,
volume = "60",
number = "8",
pages = "1775--1787",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:39 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60749",
acknowledgement = ack-nhfb,
}
@Article{Priyadarshy:1996:DDHb,
author = "Satyam Priyadarshy and David N. Beratan and Steven M.
Risser",
title = "{DNA} double-helix-mediated long-range electron
transfer",
journal = j-IJQC,
volume = "60",
number = "8",
pages = "1789--1795",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:39 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60750",
acknowledgement = ack-nhfb,
}
@Article{Bagdassarian:1996:QMMb,
author = "Carey K. Bagdassarian and Benjamin B. Braunheim and
Vern L. Schramm and Steven D. Schwartz",
title = "Quantitative measures of molecular similarity:
{Methods} to analyze transition-state analogs for
enzymatic reactions",
journal = j-IJQC,
volume = "60",
number = "8",
pages = "1797--1804",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:39 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60751",
acknowledgement = ack-nhfb,
}
@Article{Schramm:1996:ETSb,
author = "Vern L. Schramm and Benjamin A. Horenstein and Carey
K. Bagdassarian and Steven D. Schwartz and Paul J.
Berti and Kathleen A. Rising and Johannes Scheuring and
Paul C. Kline and David W. Parkin and David J.
Merkler",
title = "Enzymatic transition states and inhibitor design from
principles of classical and quantum chemistry",
journal = j-IJQC,
volume = "60",
number = "8",
pages = "1805--1813",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:39 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60752",
acknowledgement = ack-nhfb,
}
@Article{Jacchieri:1996:CECb,
author = "S. G. Jacchieri and M. Gomes and A. C. M. Camargo and
L. Juliano",
title = "Cross examination of the conformational spaces of a
set of peptide chains: {Study} of oligopeptidase
action",
journal = j-IJQC,
volume = "60",
number = "8",
pages = "1815--1827",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:39 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60753",
acknowledgement = ack-nhfb,
}
@Article{Pop:1996:ARTb,
author = "Emil Pop and Stanis{\l}aw Rachwal and Marcus E.
Brewster",
title = "Allylic rearrangement of {\em trans\/}-pinocarveol
esters",
journal = j-IJQC,
volume = "60",
number = "8",
pages = "1829--1834",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:39 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60742",
acknowledgement = ack-nhfb,
}
@Article{DeSantanna:1996:SSP,
author = "Carlos M. R. {De Sant'anna} and Ricardo Bicca De
Alencastro and Carlos R. Rodrigues and Gabriela
Barreiro and Eliezer J. Barreiro and Joaquim Delphino
Da Motta Neto and Ant{\^o}nio Carlos C. Freitas",
title = "A semiempirical study of pyrazole acylhydrazones as
potential antimalarial agents",
journal = j-IJQC,
volume = "60",
number = "8",
pages = "1835--1843",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:39 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60743",
acknowledgement = ack-nhfb,
}
@Article{Molnar:1996:CDTb,
author = "Stephen P. Molnar and James W. King",
title = "Correlation of dermal transport with structure via the
integrated molecular transform",
journal = j-IJQC,
volume = "60",
number = "8",
pages = "1845--1849",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:39 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60744",
acknowledgement = ack-nhfb,
}
@Article{Randic:1996:BPCb,
author = "Milan Randi{\'c} and Goran Krilov",
title = "Bond profiles for cuboctahedron and twist
cuboctahedron",
journal = j-IJQC,
volume = "60",
number = "8",
pages = "1851--1863",
month = "????",
year = "1996",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:39 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=60745",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1997:DSIa,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "61",
number = "1",
pages = "I--I",
day = "5",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Mar 7 21:33:39 MST 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Flocke:1997:SGAa,
author = "N. Flocke and M. Barysz and J. Karwowski and G. H. F.
Diercksen",
title = "Symmetric Group Approach to Relativistic {CI}. {I}.
General Formalism",
journal = j-IJQC,
volume = "61",
number = "1",
pages = "1--10",
day = "5",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:42 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42372;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42372&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Flocke:1997:SGAb,
author = "N. Flocke and M. Barysz and J. Karwowski and G. H. F.
Diercksen",
title = "Symmetric Group Approach to Relativistic {CI}. {II}.
Reduction of Matrices in the Spin Space",
journal = j-IJQC,
volume = "61",
number = "1",
pages = "11--20",
day = "5",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:42 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42381;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42381&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Flocke:1997:SGAc,
author = "N. Flocke and M. Barysz and J. Karwowski and G. H. F.
Diercksen",
title = "Symmetric Group Approach to Relativistic {CI}. {III}.
Matrix Elements for Spin-Dependent Operators",
journal = j-IJQC,
volume = "61",
number = "1",
pages = "21--34",
day = "5",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:42 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42382;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42382&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Povill:1997:UFC,
author = "{\`A}ngels Povill and Jaime Rubio",
title = "Using {Full-CI} Algorithms in {Bethe--Goldstone-Type}
Expansions of the Correlation Energy",
journal = j-IJQC,
volume = "61",
number = "1",
pages = "35--43",
day = "5",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:42 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42383;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42383&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Guihery:1997:UCB,
author = "Nathalie Guihery and Jean-Paul Malrieu and Daniel
Maynau and Klaus Handrick",
title = "Unexpected {CASSCF} Bistability Phenomenon",
journal = j-IJQC,
volume = "61",
number = "1",
pages = "45--54",
day = "5",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:42 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42384;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42384&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Perez-Romero:1997:TSA,
author = "E. P{\'e}rez-Romero and L. M. Tel and C. Valdemoro",
title = "Traces of Spin-Adapted Reduced Density Matrices",
journal = j-IJQC,
volume = "61",
number = "1",
pages = "55--61",
day = "5",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:42 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42385;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42385&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Karwowski:1997:AEE,
author = "J. Karwowski and J. Planelles and F. Rajadell",
title = "Average Energy of an {$N$}-Electron System in a
Finite-Dimensional and Spin-Adapted Model Space",
journal = j-IJQC,
volume = "61",
number = "1",
pages = "63--65",
day = "5",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:42 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42386;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42386&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Derecskei-Kovacs:1997:NWFa,
author = "Agnes Derecskei-Kovacs and David E. Woon and Dennis S.
Marynick",
title = "Nonempirical Wave Functions for Very Large Molecules.
{II}. The {PRDDO\slash M\slash FCP} Method",
journal = j-IJQC,
volume = "61",
number = "1",
pages = "67--76",
day = "5",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:42 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42387;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42387&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Antolin:1997:MEA,
author = "J. Antol{\'\i}n and A. Zarzo and J. C. Angulo and J.
C. Cuch{\'\i}",
title = "Maximum-Entropy Analysis of Momentum Densities in
Diatomic Molecules",
journal = j-IJQC,
volume = "61",
number = "1",
pages = "77--83",
day = "5",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:42 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42388;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42388&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Bray:1997:RPL,
author = "Mark R. Bray and Robert J. Deeth and Veronica J. Paget
and Paul D. Sheen",
title = "The relative performance of the local density
approximation and gradient-corrected density functional
theory for computing metal-ligand distances in
{Werner}-type and organometallic complexes",
journal = j-IJQC,
volume = "61",
number = "1",
pages = "85--91",
day = "5",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:42 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42373;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42373&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Jursic:1997:EAM,
author = "Branko S. Jursic",
title = "Electron Affinities of Metals Computed by Density
Functional Theory and Ab Initio Methods",
journal = j-IJQC,
volume = "61",
number = "1",
pages = "93--100",
day = "5",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:42 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42374;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42374&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Wang:1997:CCE,
author = "Yixuan Wang and Conghao Deng",
title = "{CFPHGLF} Calculation of {3S} Excited States for
Heliumlike Three-Body Systems",
journal = j-IJQC,
volume = "61",
number = "1",
pages = "101--105",
day = "5",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:42 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42375;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42375&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Barrois:1997:ANEa,
author = "Ren{\'e} Barrois and Heinz Kleindienst and Arne
L{\"u}chow",
title = "Accurate Nonrelativistic Energies for {$^2$P$^o$}
States of the {Li} Isoelectronic Series",
journal = j-IJQC,
volume = "61",
number = "1",
pages = "107--116",
day = "5",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:42 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42376;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42376&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Bu:1997:NIS,
author = "Yuxiang Bu and Yangjun Ding and Faxin He and Lifu
Jiang and Xinyu Song",
title = "Nonempirical Ab Initio Studies on Inner-Sphere
Reorganization Energies of
{M$^{2+}$(H$_2$O)$_6$/M$^{3+}$(H$_2$O)$_6$} Redox
Couples at Valence Basis Level",
journal = j-IJQC,
volume = "61",
number = "1",
pages = "117--126",
day = "5",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:42 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42377;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42377&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Bodor:1997:TSS,
author = "Nicholas S. Bodor and Ming-ju Huang",
title = "Theoretical Study of the Stereoisomers of
Tetrahydrocannabinols",
journal = j-IJQC,
volume = "61",
number = "1",
pages = "127--135",
day = "5",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:42 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42378;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42378&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Sakuma:1997:IMS,
author = "Toshihiro Sakuma and Hiroshi Kashiwagi and Toshikazu
Takada and Haruki Nakamura",
title = "Ab Initio {MO} Study of the Chlorophyll Dimer in the
Photosynthetic Reaction Center. {I}. {A} Theoretical
Treatment of the Electrostatic Field Created by the
Surrounding Proteins",
journal = j-IJQC,
volume = "61",
number = "1",
pages = "137--151",
day = "5",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:42 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42379;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42379&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Rothstein:1997:EVE,
author = "Stuart M. Rothstein",
title = "Erratum: {Valence} energy in variational {Monte
Carlo}: {CuH} dissociation energy",
journal = j-IJQC,
volume = "61",
number = "1",
pages = "153--153",
day = "5",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:42 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "See \cite{Rothstein:1996:VEV}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42380;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42380&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1997:DSIb,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "61",
number = "2",
pages = "I--I",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Mar 7 21:33:39 MST 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Nalewajski:1997:CRC,
author = "Roman F. Nalewajski",
title = "Charge Response Criteria of Chemical Reactivity:
{Fukui} Function Indices and Populational Reference
Frames Reflecting the Interreactant Charge Coupling",
journal = j-IJQC,
volume = "61",
number = "2",
pages = "181--196",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:44 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42390;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42390&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Perdew:1997:TPD,
author = "John P. Perdew and Matthias Ernzerhof and Kieron Burke
and Andreas Savin",
title = "On-Top Pair-Density Interpretation of Spin Density
Functional Theory, with Applications to Magnetism",
journal = j-IJQC,
volume = "61",
number = "2",
pages = "197--205",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:44 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42401;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42401&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Richardson:1997:ISE,
author = "W. H. Richardson and C. Peng and D. Bashford and L.
Noodleman and D. A. Case",
title = "Incorporating Solvation Effects into Density
Functional Theory: Calculation of Absolute Acidities",
journal = j-IJQC,
volume = "61",
number = "2",
pages = "207--217",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:44 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42402;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42402&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Daul:1997:SNQ,
author = "Claude Daul and St{\'e}phane Daul",
title = "Symmetrical ``nonproduct'' quadrature rules for a {\em
fast\/} calculation of multicenter integrals",
journal = j-IJQC,
volume = "61",
number = "2",
pages = "219--230",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:44 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42403;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42403&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Gritsenko:1997:DAL,
author = "Oleg V. Gritsenko and Robert {Van Leeuwen} and Evert
Jan Baerends",
title = "Direct Approximation of the Long- and Short-Range
Components of the Exchange-Correlation {Kohn--Sham}
Potential",
journal = j-IJQC,
volume = "61",
number = "2",
pages = "231--243",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:44 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42404;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42404&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ortiz-Henarejos:1997:DBI,
author = "Ester Ortiz-Henarejos and Emilio San-Fabi{\'a}n",
title = "Differences Between Ab Initio and Density Functional
Electron Densities",
journal = j-IJQC,
volume = "61",
number = "2",
pages = "245--252",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:44 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42405;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42405&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Cordero:1997:DFS,
author = "N. A. Cordero and J. A. Alonso",
title = "Density Functional Study of Atomic Electron Affinities
Using a Nonlocal Exchange and a Local Correlation
Functional",
journal = j-IJQC,
volume = "61",
number = "2",
pages = "253--261",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:44 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42406;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42406&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Holas:1997:EEC,
author = "A. Holas and N. H. March",
title = "Exact Exchange-Correlation Potential from Low-Order
Density Matrices",
journal = j-IJQC,
volume = "61",
number = "2",
pages = "263--272",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:44 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42407;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42407&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Krieger:1997:SAA,
author = "J. B. Krieger and Yan Li and Yili Liu and G. J.
Iafrate",
title = "Simplified Accurate Approximation for the {Kohn--Sham}
Potential Using the {KLI} Method",
journal = j-IJQC,
volume = "61",
number = "2",
pages = "273--279",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:44 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42408;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42408&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Levy:1997:ADF,
author = "Mel Levy",
title = "Additive Density Functional Correlation Corrections to
Single Particle Theories",
journal = j-IJQC,
volume = "61",
number = "2",
pages = "281--285",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:44 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42391;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42391&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Burke:1997:WGG,
author = "Kieron Burke and John P. Perdew and Matthias
Ernzerhof",
title = "Why the Generalized Gradient Approximation Works and
How to Go Beyond It",
journal = j-IJQC,
volume = "61",
number = "2",
pages = "287--293",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:44 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42392;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42392&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Menchi:1997:DLP,
author = "M. Menchi and A. Bosin",
title = "{DFT-LDA} Pseudopotentials in Quantum {Monte Carlo}",
journal = j-IJQC,
volume = "61",
number = "2",
pages = "295--302",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:44 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42393;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42393&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Wesolowski:1997:KSE,
author = "Tomasz Adam Wesolowski and Jacques Weber",
title = "{Kohn--Sham} equations with constrained electron
density: {The} effect of various kinetic energy
functional parametrizations on the ground-state
molecular properties",
journal = j-IJQC,
volume = "61",
number = "2",
pages = "303--311",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:44 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42394;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42394&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Moscardo:1997:NFC,
author = "F. Moscard{\'o} and A. J. P{\'e}rez-Jim{\'e}nez",
title = "New Functionals for Correlation Energy Deduced in the
Framework of the Correlation Factor Approach",
journal = j-IJQC,
volume = "61",
number = "2",
pages = "313--323",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:44 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42395;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42395&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Capelle:1997:DFT,
author = "K. Capelle and E. K. U. Gross",
title = "Density Functional Theory for Triplet
Superconductors",
journal = j-IJQC,
volume = "61",
number = "2",
pages = "325--332",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:44 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42396;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42396&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Theophilou:1997:DFT,
author = "Andreas K. Theophilou",
title = "Density Functional Theory for Excited States and
Special Symmetries",
journal = j-IJQC,
volume = "61",
number = "2",
pages = "333--340",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:44 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42397;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42397&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Beck:1997:MMD,
author = "Thomas L. Beck and Karthik A. Iyer and Michael P.
Merrick",
title = "Multigrid Methods in Density Functional Theory",
journal = j-IJQC,
volume = "61",
number = "2",
pages = "341--348",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:44 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42398;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42398&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Termath:1997:DFI,
author = "Volker Termath",
title = "Diagonalization Free Implementation of {Kohn--Sham}
Equations with Localized Basis Sets",
journal = j-IJQC,
volume = "61",
number = "2",
pages = "349--353",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:44 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42399;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42399&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Joubert:1997:TRI,
author = "Daniel P. Joubert",
title = "Translational and Rotational Invariance Requisites for
Density Functional Derivatives",
journal = j-IJQC,
volume = "61",
number = "2",
pages = "355--360",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:44 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42400;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42400&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1997:DSIc,
author = "Anonymous",
title = "Diskette Submission Instructions",
journal = j-IJQC,
volume = "61",
number = "3",
pages = "I--I",
day = "20",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Mar 7 21:33:39 MST 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Barone:1997:CBP,
author = "Vincenzo Barone and Alessandro Bencini and Federico
Totti and Myriam G. Uytterhoeven",
title = "Comparison between post-{Hartree--Fock} and {DFT}
methods for the study of strength and mechanism of
cleavage of {Hg\singlebond{}C} bond",
journal = j-IJQC,
volume = "61",
number = "3",
pages = "361--367",
day = "20",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:46 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42410;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42410&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Schwarz:1997:IMD,
author = "K. Schwarz and E. Nusterer and P. Margl and P. E.
Bl{\"o}chl",
title = "Ab Initio Molecular Dynamics Calculations to Study
Catalysis",
journal = j-IJQC,
volume = "61",
number = "3",
pages = "369--380",
day = "20",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:46 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42421;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42421&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Branchadell:1997:DFS,
author = "Vicen{\c{c}} Branchadell",
title = "Density Functional Study of {Diels--Alder} Reactions
Between Cyclopentadiene and Substituted Derivatives of
Ethylene",
journal = j-IJQC,
volume = "61",
number = "3",
pages = "381--388",
day = "20",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:46 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42431;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42431&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Politzer:1997:DFA,
author = "Peter Politzer and M. Edward Grice and Jorge M.
Seminario",
title = "Density Functional Analysis of a Decomposition of
4-Nitro-1,2,3-Triazole Through the Evolution of
{N}$_2$",
journal = j-IJQC,
volume = "61",
number = "3",
pages = "389--392",
day = "20",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:46 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42432;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42432&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Shah:1997:ABC,
author = "Rajiv Shah and M. C. Payne and J. D. Gale",
title = "Acid-Base Catalysis in Zeolites from First
Principles",
journal = j-IJQC,
volume = "61",
number = "3",
pages = "393--398",
day = "20",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:46 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42433;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42433&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Nyulaszi:1997:APS,
author = "L{\'a}szl{\'o} Nyul{\'a}szi and Tam{\'a}s
Veszpr{\'e}mi",
title = "Assignment of Photoelectron Spectra by the Help of
Density Functional Calculations",
journal = j-IJQC,
volume = "61",
number = "3",
pages = "399--403",
day = "20",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:46 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42434;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42434&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Torrent:1997:MVD,
author = "M. Torrent and P. Gili and M. Duran and M. Sol{\`a}",
title = "Molybdenum {(VI)} dioxodihalides: {Agreement} with
experiment and prediction of unknown properties through
density functional theory",
journal = j-IJQC,
volume = "61",
number = "3",
pages = "405--414",
day = "20",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:46 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42435;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42435&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Rubio:1997:DFP,
author = "J. Rubio and N. Russo and E. Sicilia",
title = "Density Functional Potential Energy Hypersurface of
Protonated Ozone: {A} Comparison Between Different
Gradient-Corrected Nonlocal Functionals",
journal = j-IJQC,
volume = "61",
number = "3",
pages = "415--420",
day = "20",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:46 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42436;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42436&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Filippetti:1997:HCN,
author = "A. Filippetti and A. Satta and David Vanderbilt and W.
Zhong",
title = "Hardness Conservation as a New Transferability
Criterion: Application to Fully Nonlocal
Pseudopotentials",
journal = j-IJQC,
volume = "61",
number = "3",
pages = "421--427",
day = "20",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:46 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42437;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42437&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Barone:1997:TGP,
author = "Vincenzo Barone and Carlo Adamo",
title = "Toward a General Protocol for the Study of Static and
Dynamic Properties of Hydrogen-Bonded Systems",
journal = j-IJQC,
volume = "61",
number = "3",
pages = "429--442",
day = "20",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:46 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42411;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42411&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Barone:1997:FRT,
author = "Vincenzo Barone and Carlo Adamo",
title = "First-Row Transition-Metal Hydrides: {A} Challenging
Playground for New Theoretical Approaches",
journal = j-IJQC,
volume = "61",
number = "3",
pages = "443--451",
day = "20",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:46 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42412;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42412&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Kwiatkowski:1997:DFT,
author = "J{\'o}zef S. Kwiatkowski and Jerzy Leszczynski",
title = "Density Functional Theory Study on Molecular Structure
and Vibrational {IR} Spectra of Isocytosine",
journal = j-IJQC,
volume = "61",
number = "3",
pages = "453--465",
day = "20",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:46 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42413;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42413&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Zacarias:1997:DFS,
author = "Ang{\'e}lica Zacar{\'\i}as and Hugo Torrens and Miguel
Castro",
title = "A density functional study of {Fe\singlebond{}N$_2$},
{Fe\singlebond{}N$^+_2$}, and
{Fe\singlebond{}N$^-_2$}",
journal = j-IJQC,
volume = "61",
number = "3",
pages = "467--473",
day = "20",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:46 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42414;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42414&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Doclo:1997:DFS,
author = "Karen G. Doclo and Claude A. Daul and Steven Creve",
title = "A Density Functional Study of Ground-State and
Excited-State Properties of {${\rm CoAl}_2{\rm
Cl}_8(g)$}",
journal = j-IJQC,
volume = "61",
number = "3",
pages = "475--481",
day = "20",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:46 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42415;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42415&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Hemery:1997:TDR,
author = "A. Hemery and G. Picard and M. Sibony and B. Champin",
title = "Thermochemical Data Relative to the Complex Formation
in Gas Phase Derived from Computational Chemistry",
journal = j-IJQC,
volume = "61",
number = "3",
pages = "483--489",
day = "20",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:46 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42416;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42416&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Aguado:1997:ASO,
author = "Alfredo Aguado and Virgilio Sanz and Miguel Paniagua",
title = "Application of Second-Order Density Functional Methods
to the Calculation of the {BeFH} Potential Energy
Surface",
journal = j-IJQC,
volume = "61",
number = "3",
pages = "491--497",
day = "20",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:46 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42417;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42417&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Balawender:1997:ABM,
author = "Robert Balawender and Ludwik Komorowski and Szczepan
Roszak",
title = "Acidic and Basic Molecular Hardness in {LCAO}
Approximation",
journal = j-IJQC,
volume = "61",
number = "3",
pages = "499--505",
day = "20",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:46 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42418;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42418&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Bouyer:1997:CAC,
author = "Fr{\'e}d{\'e}ric Bouyer and G{\'e}rard Picard and
Jean-Jacques Legendre",
title = "Computational and Analytical Chemistry: Methodology to
Study Chemical Reactions Between Sodium, Calcium, and
Aluminum Fluorides in Molten Cryolite",
journal = j-IJQC,
volume = "61",
number = "3",
pages = "507--514",
day = "20",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:46 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42419;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42419&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Seminario:1997:SSLa,
author = "Jorge M. Seminario and Ang{\'e}lica G. Zacar{\'\i}as
and Miguel Castro",
title = "Systematic Study of the Lowest Energy States of {Pd},
{Pd$_2$}, and {Pd$_3$}",
journal = j-IJQC,
volume = "61",
number = "3",
pages = "515--523",
day = "20",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:46 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42420;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42420&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Romera:1997:ASD,
author = "E. Romera and J. S. Dehesa and Toshikatsu Koga",
title = "Analytical {Schwartz} Density Applied to Heavy
Two-Electron Ions",
journal = j-IJQC,
volume = "61",
number = "3",
pages = "525--531",
day = "20",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Apr 12 07:11:06 2002",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "See erratum \cite{Romera:2002:EAS}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42422;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42422&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{GarciadelaVega:1997:DFC,
author = "J. M. {Garcia De La Vega} and B. Miguel and E. {San
Fabian}",
title = "Density Functional Calculations on {Jahn--Teller}
Effect of Tetrachloromethane Cation",
journal = j-IJQC,
volume = "61",
number = "3",
pages = "533--540",
day = "20",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:46 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42423;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42423&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Schafer:1997:MHS,
author = "Olivier Schafer and Claude Daul",
title = "Modeling of the Hydration Sphere of Gadolinium({III})
Ion Using Density Functional Theory",
journal = j-IJQC,
volume = "61",
number = "3",
pages = "541--546",
day = "20",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:46 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42424;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42424&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Jeung:1997:MCM,
author = "Gwang-hi Jeung and St{\'e}phane Haettel",
title = "Are metal-{CO} molecules linear? {ScCO}, {TiCO},
{VCO}, and {CrCO} cases studied in {MRCI} method
compared with {DFT} method",
journal = j-IJQC,
volume = "61",
number = "3",
pages = "547--550",
day = "20",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:46 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42425;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42425&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Grigorov:1997:NEI,
author = "Martin Grigorov and Jacques Weber and Henry Chermette
and Jean M. J. Tronchet",
title = "Numerical Evaluation of the Internal Orbitally
Resolved Chemical Hardness Tensor in Density Functional
Theory",
journal = j-IJQC,
volume = "61",
number = "3",
pages = "551--562",
day = "20",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:46 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42426;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42426&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Barriuso:1997:MIO,
author = "M. T. Barriuso and J. A. Aramburu and C. Daul and M.
Moreno",
title = "A microscopic insight into oscillator strengths: {The}
charge transfer bands for {CuCl$^{2-}_4$}",
journal = j-IJQC,
volume = "61",
number = "3",
pages = "563--570",
day = "20",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:46 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42427;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42427&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Sicilia:1997:DFI,
author = "Emilia Sicilia and Marirosa Toscano and Tzonka Mineva
and Nino Russo",
title = "Density Functional Investigation of the Molecular
Geometries, Harmonic Vibrational Frequencies,
Singlet-Triplet Energy Separations, Adiabatic
Ionization Potentials, and Electron Affinities of
{XY}$_2$ ({X} $=$ {Si}, {Ge}, {Sn}; {Y} $=$ {F}, {Cl})
Systems",
journal = j-IJQC,
volume = "61",
number = "3",
pages = "571--577",
day = "20",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:46 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42428;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42428&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Stuckl:1997:DFC,
author = "A. C. St{\"u}ckl and C. A. Daul and H. U. G{\"u}del",
title = "Density Functional Calculations of Optical Excitation
Energies by a Transition-State Method",
journal = j-IJQC,
volume = "61",
number = "3",
pages = "579--588",
day = "20",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:46 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42429;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42429&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Nalewajski:1997:TEV,
author = "Roman F. Nalewajski and Janusz Mrozek and Artur
Michalak",
title = "Two-Electron Valence Indices from the {Kohn--Sham}
Orbitals",
journal = j-IJQC,
volume = "61",
number = "3",
pages = "589--601",
day = "20",
month = jan,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:46 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42430;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42430&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Anonymous:1997:GESa,
author = "Anonymous",
title = "Guidelines for Electronic Submission",
journal = j-IJQC,
volume = "61",
number = "4",
pages = "I--I",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Mar 7 21:33:39 MST 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Cohen:1997:DFT,
author = "Marvin L. Cohen",
title = "Density Functional Theory and Pseudopotentials: {A}
Panacea for Calculating Properties of Materials",
journal = j-IJQC,
volume = "61",
number = "4",
pages = "603--611",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:49 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42439;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42439&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Aguilar:1997:IVB,
author = "J. G. Aguilar and A. Mananes and F. Duque and M. J.
L{\'o}pez and M. P. Iniguez and J. A. Alonso",
title = "Ionic Vibrational Breathing Mode of Metallic
Clusters",
journal = j-IJQC,
volume = "61",
number = "4",
pages = "613--626",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:49 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42447;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42447&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Cabria:1997:NAI,
author = "I. Cabria and M. T. Barriuso and J. A. Aramburu and M.
Moreno",
title = "Neutral Atoms in Ionic Lattices: Study of
{KCl:Ag$^0$}",
journal = j-IJQC,
volume = "61",
number = "4",
pages = "627--634",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:49 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42448;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42448&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Lamare:1997:LES,
author = "L. Lamare and F. Michel-Calendini",
title = "{LDA} Electronic Structure Calculations on {Au$_{13}$}
Cluster",
journal = j-IJQC,
volume = "61",
number = "4",
pages = "635--639",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:49 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42449;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42449&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Trickey:1997:BCG,
author = "S. B. Trickey",
title = "Benchmark Comparison of Gradient-Dependent and Local
Density Calculations for Bulk Silicon and Aluminum",
journal = j-IJQC,
volume = "61",
number = "4",
pages = "641--646",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:49 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42450;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42450&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Bellaiche:1997:AEC,
author = "L. Bellaiche and K. Kunc",
title = "All-electron calculations with plane waves in solid
lithium hydride",
journal = j-IJQC,
volume = "61",
number = "4",
pages = "647--656",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:49 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42451;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42451&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Actis:1997:ILN,
author = "M. Actis and F. Michel-Calendini",
title = "Impurity levels and nonlinear optical properties of
doped {BaTiO$_3$} from extended cluster {LDA}
calculations",
journal = j-IJQC,
volume = "61",
number = "4",
pages = "657--664",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:49 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42452;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42452&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Mineva:1997:SEC,
author = "T. Mineva and N. Russo",
title = "Solvent effects computed with the {Gaussian} density
functional method",
journal = j-IJQC,
volume = "61",
number = "4",
pages = "665--671",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:49 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42453;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42453&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Broclawik:1997:DFS,
author = "Ewa Broclawik and Ryo Yamauchi and Akira Endou and
Momoji Kubo and Akira Miyamoto",
title = "Density functional study on the activation of methane
over {Pd$_2$}, {PdO}, and {Pd$_2$ O} clusters",
journal = j-IJQC,
volume = "61",
number = "4",
pages = "673--682",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:49 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42454;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42454&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Gilardoni:1997:DFI,
author = "F. Gilardoni and J. Weber and A. Baiker",
title = "Density functional investigation of the mechanism of
the selective catalytic reduction of {NO} by {NH$_3$}
over vanadium oxide model clusters",
journal = j-IJQC,
volume = "61",
number = "4",
pages = "683--688",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:49 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42440;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42440&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Grand:1997:CSD,
author = "A. Grand and F. Jolibois and J. P. Denis and J.
Delhalle",
title = "Comparative study of {DFT (LSD-CGA)} and {RHF}
molecular structures of quinoid and aromatic model
systems for head-to-tail electroactive polymers",
journal = j-IJQC,
volume = "61",
number = "4",
pages = "689--697",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:49 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42441;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42441&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Kiejna:1997:NRA,
author = "A. Kiejna",
title = "Nonlinear response of aluminum surface to electric
field",
journal = j-IJQC,
volume = "61",
number = "4",
pages = "699--703",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:49 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42442;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42442&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Matar:1997:LDF,
author = "S. F. Matar and V. Eyert and B. Chevalier and J.
Etourneau",
title = "Local density functional calculations of the
electronic structures of the intermetallic systems
{U$_2$ Fe$_2$ Sn} and {UFe$_2$ Ge$_2$}",
journal = j-IJQC,
volume = "61",
number = "4",
pages = "705--709",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:49 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42443;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42443&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Lamare:1997:STT,
author = "L. Lamare and F. Michel-Calendini",
title = "Simulation of tungsten {tip-Al(100)} surface
electronic structure through {LCAO-LSD} calculations",
journal = j-IJQC,
volume = "61",
number = "4",
pages = "711--717",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:49 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42444;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42444&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Milman:1997:ISE,
author = "V. Milman",
title = "Ab initio study of epitaxial growth on stepped
{Si(100)} surface",
journal = j-IJQC,
volume = "61",
number = "4",
pages = "719--724",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:49 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42445;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42445&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Magalhaes:1997:DFM,
author = "A. L. Magalh{\~a}es and J. A. N. F. Gomes",
title = "Density-functional methods for the study of the
ground-state vibrations of the guanidinium ion",
journal = j-IJQC,
volume = "61",
number = "4",
pages = "725--739",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:49 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42446;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42446&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1997:GESb,
author = "Anonymous",
title = "Guidelines for Electronic Submission",
journal = j-IJQC,
volume = "61",
number = "5",
pages = "I--I",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Mar 7 21:33:39 MST 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kolezynski:1997:OSM,
author = "Andrzej Kole\.{z}y{\'n}ski and Wies{\l}aw S. Ptak and
Katarzyna Tkacz-\'Smiech",
title = "Overlapping Shells Model Applied to Diamondlike
Crystals",
journal = j-IJQC,
volume = "61",
number = "5",
pages = "741--746",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Nov 01 08:46:08 2000",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42456;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42456&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Flocke:1997:SGAd,
author = "N. Flocke",
title = "Symmetric Group Approach to Relativistic {CI}. {IV}.
Representations of One-Electron Spin Operators and
Their Products in a Symmetric Group-Adapted Basis of
{$N$}-Electron Spin Functions",
journal = j-IJQC,
volume = "61",
number = "5",
pages = "747--757",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:51 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42460;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42460&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Taseli:1997:FBE,
author = "H. Ta{\c{s}}eli and A. Zafer",
title = "A {Fourier--Bessel} Expansion for Solving Radial
{Schr{\"o}dinger} Equation in Two Dimensions",
journal = j-IJQC,
volume = "61",
number = "5",
pages = "759--768",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:51 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42461;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42461&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Jeziorski:1997:CCE,
author = "Bogumi{\l} Jeziorski and Robert Bukowski and Krzysztof
Szalewicz",
title = "Completeness Criteria for Explicitly Correlated
{Gaussian} Geminal Bases of Axial Symmetry",
journal = j-IJQC,
volume = "61",
number = "5",
pages = "769--776",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:51 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42462;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42462&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Meissner:1997:NIM,
author = "Holger Mei\ss{}ner and E. Otto Steinborn",
title = "A New Iterative Method for Solving the
Time-Independent {Schr{\"o}dinger} Equation Based on
the Generalized {Bloch} Equation. {I}. {Boson} Systems:
The Quartic Anharmonic Oscillator",
journal = j-IJQC,
volume = "61",
number = "5",
pages = "777--795",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:51 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42463;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42463&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Perczel:1997:PMX,
author = "Andr{\'a}s Perczel and {\"O}d{\"o}n Farkas and John F.
Marcoccia and Imre G. Csizmadia",
title = "Peptide Models. {XIV}. Ab Initio Study on the Role of
Side-Chain Backbone Interaction Stabilizing the
Building Unit of Right- and Left-Handed Helices in
Peptides and Proteins",
journal = j-IJQC,
volume = "61",
number = "5",
pages = "797--814",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:51 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42464;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42464&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Teng:1997:TSS,
author = "Qiwen Teng and Xuezhuang Zhao and Zun-Sheng Cai and Au
Chin Tang",
title = "Theoretical Studies on the Structures and Electronic
Spectra of {C$_{70}$CH$_2$}",
journal = j-IJQC,
volume = "61",
number = "5",
pages = "815--822",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:51 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42465;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42465&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Gonzalez:1997:CRA,
author = "J. A. Gonz{\'a}lez and G. A. Aucar and M. C. Ruiz de
Az{\'u}a and R. H. Contreras",
title = "Cloppa {RPA-AM1} Analysis of the Anisotropy of
{NMR} {$^1$J(XY)} Coupling Tensors in {Me$_3$XY} Compounds
({X} = {$^{13}$C}, {$^{29}$Si}, {$^{119}$Sn},
{$^{207}$Pb}; {Y} = {$^{19}$F}, {$^{35}$Cl})",
journal = j-IJQC,
volume = "61",
number = "5",
pages = "823--833",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:51 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42466;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42466&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Zupan:1997:DGA,
author = "Ale\v{s} Zupan and John P. Perdew and Kieron Burke and
Mauro Caus{\`a}",
title = "Density-gradient analysis for density functional
theory: {Application} to atoms",
journal = j-IJQC,
volume = "61",
number = "5",
pages = "835--845",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:51 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42467;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42467&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Rodriguez-Monge:1997:CPI,
author = "Lucia Rodriguez-Monge and Sven Larsson",
title = "Conductivity in Polyacetylene. {IV}. Ab Initio
Calculations for a Two-Site Model for Electron Transfer
Between Allyl Anion and Allyl",
journal = j-IJQC,
volume = "61",
number = "5",
pages = "847--857",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:51 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42457;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42457&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Bauschlicher:1997:EEF,
author = "Charles W. {Bauschlicher Jr.}",
title = "The Effect of an Electric Field on the Vibrational
Frequency of {CN}",
journal = j-IJQC,
volume = "61",
number = "5",
pages = "859--863",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:51 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42458;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42458&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Datta:1997:TIR,
author = "Sambhu N. Datta and Buddhadeb Mallik",
title = "Theoretical investigation of the rates of electron
transfer processes {Q$^-_I$} +
{Q$_{II}\rightarrow$Q$_I$} + {Q$^-_{II}$} and {Q$^-_I$}
+ {Q$^-_{II}\rightarrow$Q$_I$} + {Q$^{2-}_{II}$} in
photosynthesis",
journal = j-IJQC,
volume = "61",
number = "5",
pages = "865--879",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:51 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42459;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42459&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Anonymous:1997:GESc,
author = "Anonymous",
title = "Guidelines for Electronic Submission",
journal = j-IJQC,
volume = "61",
number = "6",
pages = "XIII--XIII",
day = "20",
month = feb,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Mar 7 21:33:39 MST 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1997:VTCa,
author = "Anonymous",
title = "Volume Table of Contents",
journal = j-IJQC,
volume = "61",
number = "6",
pages = "I--I",
day = "20",
month = feb,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Mar 19 13:02:15 MST 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Jones:1997:CSC,
author = "Herbert W. Jones",
title = "Comprehensive Strategy for the Calculation of Overlap
Integrals with {Slater}-Type Orbitals",
journal = j-IJQC,
volume = "61",
number = "6",
pages = "881--889",
day = "20",
month = feb,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:54 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42469;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42469&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Santamaria:1997:DEF,
author = "R. Santamaria",
title = "Design of an Exchange Functional with Correct
Asymptotics",
journal = j-IJQC,
volume = "61",
number = "6",
pages = "891--898",
day = "20",
month = feb,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:54 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42473;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42473&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Schreckenbach:1997:CNS,
author = "Georg Schreckenbach and Tom Ziegler",
title = "Calculation of {NMR} Shielding Tensors Based on
Density Functional Theory and a Scalar Relativistic
{Pauli}-Type {Hamiltonian}. The Application to
Transition Metal Complexes",
journal = j-IJQC,
volume = "61",
number = "6",
pages = "899--918",
day = "20",
month = feb,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:54 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42474;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42474&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Grayson:1997:SES,
author = "Martin Grayson",
title = "Substitution Effects by {SCF} and {H{\"u}ckel}
Theory",
journal = j-IJQC,
volume = "61",
number = "6",
pages = "919--927",
day = "20",
month = feb,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:54 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42475;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42475&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Meyer:1997:ACL,
author = "J. Meyer",
title = "Addendum to Construction of Linearly Independent
Relativistic Symmetry Orbitals for Finite Double-Point
Groups Including Time-Reversal Symmetry",
journal = j-IJQC,
volume = "61",
number = "6",
pages = "929--933",
day = "20",
month = feb,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:54 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42476;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42476&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Gersdorf:1997:CEH,
author = "Peter Gersdorf and Walter John and John P. Perdew and
Paul Ziesche",
title = "Correlation entropy of the {H$_2$} molecule",
journal = j-IJQC,
volume = "61",
number = "6",
pages = "935--941",
day = "20",
month = feb,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:54 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42477;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42477&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Blaudeau:1997:OGB,
author = "J.-P. Blaudeau and L. A. Curtiss",
title = "Optimized {Gaussian} basis sets for use with
relativistic effective (core) potentials: {K}, {Ca},
{Ga--Kr}",
journal = j-IJQC,
volume = "61",
number = "6",
pages = "943--952",
day = "20",
month = feb,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:54 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42478;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42478&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Zhao:1997:ISS,
author = "Yongfang Zhao and Tingkun Gu and Soufu Pan and Jing
Sun",
title = "An ab initio study of the structure, dissociation
energy, and heat of formation of {Na$_2$S}",
journal = j-IJQC,
volume = "61",
number = "6",
pages = "953--957",
day = "20",
month = feb,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:54 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42479;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42479&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{DaMottaNeto:1997:TSL,
author = "Joaquim Delphino {Da Motta Neto} and Ricardo Bicca De
Alencastro",
title = "Theoretical studies on local anesthetics: {Procaine},
lidocaine, tetracaine, bupivacaine, and dibucaine ---
neutral and monoprotonated",
journal = j-IJQC,
volume = "61",
number = "6",
pages = "959--980",
day = "20",
month = feb,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:54 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42480;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42480&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Novakovskaya:1997:SEP,
author = "Yulia V. Novakovskaya and Nikolai F. Stepanov",
title = "Structure and Energy of the Positively Ionized Water
Clusters",
journal = j-IJQC,
volume = "61",
number = "6",
pages = "981--990",
day = "20",
month = feb,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:54 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42470;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42470&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Morley:1997:CSE,
author = "John O. Morley",
title = "Calculations of the Structure and Electronic
Properties of Extended Polar Hydrocarbons",
journal = j-IJQC,
volume = "61",
number = "6",
pages = "991--996",
day = "20",
month = feb,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:54 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42471;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42471&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Gomez-Jeria:1997:EME,
author = "Juan Sebasti{\'a}n G{\'o}mez-Jeria and Mario
Ojeda-Vergara",
title = "Electrostatic Medium Effects and Formal Quantum
Structure-Activity Relationships in Apomorphines
Interacting with {D}$_1$ and {D}$_2$ Dopamine
Receptors",
journal = j-IJQC,
volume = "61",
number = "6",
pages = "997--1002",
day = "20",
month = feb,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:54 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42472;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42472&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Anonymous:1997:VTPa,
author = "Anonymous",
title = "Volume Title Page",
journal = j-IJQC,
volume = "61",
number = "6",
pages = "1003--??",
day = "20",
month = feb,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Mar 7 21:33:39 MST 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1997:GESd,
author = "Anonymous",
title = "Guidelines for Electronic Submission",
journal = j-IJQC,
volume = "62",
number = "1",
pages = "I--??",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Mar 19 13:02:15 MST 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Koga:1997:NPQ,
author = "Toshikatsu Koga and Katsutoshi Kanayama and Ajit J.
Thakkar",
title = "Noninteger Principal Quantum Numbers Increase the
Efficiency of {Slater}-Type Basis Sets",
journal = j-IJQC,
volume = "62",
number = "1",
pages = "1--11",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:56 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42482;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42482&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Bracken:1997:NSG,
author = "P. Bracken",
title = "Numerical Solution for the Ground-State Energy of the
Anisotropic {Heisenberg} Model",
journal = j-IJQC,
volume = "62",
number = "1",
pages = "13--21",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:56 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42485;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42485&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Ye:1997:ISR,
author = "Song Ye and Nanhua Shi and Jianhua Huang and Shushan
Dai",
title = "Ab initio study on the reaction of {Sc$^+$} +
{CH$_4\rightarrow$Sc$^+$ \singlebond{}CH$_2$} +
{H$_2$}",
journal = j-IJQC,
volume = "62",
number = "1",
pages = "23--27",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:56 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42486;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42486&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Castillo:1997:TSP,
author = "S. Castillo and A. Cruz and V. Bertin and E. Poulain
and J. S. Arellano and G. {Del Angel}",
title = "Theoretical Study on {Pd} Dimer and Trimer Interaction
with the Hydrogen Molecule",
journal = j-IJQC,
volume = "62",
number = "1",
pages = "29--45",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:56 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42487;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42487&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Yang:1997:ECA,
author = "Zhong-Zhi Yang and Ernest R. Davidson",
title = "Evaluation of a Characteristic Atomic Radius by an Ab
Initio Method",
journal = j-IJQC,
volume = "62",
number = "1",
pages = "47--53",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:56 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42488;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42488&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Nemukhin:1997:MPH,
author = "A. V. Nemukhin and B. L. Grigorenko",
title = "Modeling Properties of the {HF} Dimer in Argon
Clusters",
journal = j-IJQC,
volume = "62",
number = "1",
pages = "55--65",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:56 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42489;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42489&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Mohan:1997:IHD,
author = "C. Gopi Mohan and Anil Kumar and P. C. Mishra",
title = "Influence of Hybridization Displacement Charge on the
Description of Electrostatic Potentials of Molecules
with Multiple Electrophilic Sites",
journal = j-IJQC,
volume = "62",
number = "1",
pages = "67--76",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:56 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42490;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42490&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Barrois:1997:ANEb,
author = "Ren{\'e} Barrois and Arne L{\"u}chow and Heinz
Kleindienst",
title = "Accurate Nonrelativistic Energies for $^2$p$^e$ States
of the {Li} Isoelectronic Series",
journal = j-IJQC,
volume = "62",
number = "1",
pages = "77--88",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:56 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42491;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42491&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Guan:1997:TPD,
author = "Daren Guan and Xian Zhao and Conghao Deng and John Z.
H. Zhang",
title = "Total and partial decay widths in vibrational
predissociation of the {HeI$_2$} {van der Waals}
complex for lower initial vibrational excitations",
journal = j-IJQC,
volume = "62",
number = "1",
pages = "89--96",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:56 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42492;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42492&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Fang:1997:HBE,
author = "Jian-Yun Fang and Colin Thomson",
title = "Hydrogen-bonding effects, electrostatic potential, and
the antitumor activity of flavone acetic acid and
related compounds. {III}. {Ab} initio studies on the
conformation space",
journal = j-IJQC,
volume = "62",
number = "1",
pages = "97--113",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:56 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42483;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42483&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Grebneva:1997:CLV,
author = "H. A. Grebneva and K. B. Tolpygo",
title = "Crystalline and local vibrations of paired bases in
{poly(dG)-poly(dC)} interacting with the $h-b-1$
hydrogen bond",
journal = j-IJQC,
volume = "62",
number = "1",
pages = "115--124",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:56 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42484;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42484&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{RecamierA:1997:TEO,
author = "Jos{\'e} {R{\'e}camier A}. and Roc{\'\i}o
J{\'a}uregui",
title = "Time-Evolution Operator for a Forced Parametric
Oscillator",
journal = j-IJQC,
volume = "62",
number = "2",
pages = "125--135",
day = "15",
month = mar,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:58 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42494;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42494&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Peris:1997:SRC,
author = "G. Peris and J. Planelles and J. Paldus",
title = "Single-Reference {CCSD} Approach Employing Three- and
Four-Body {CAS SCF} Corrections: {A} Preliminary Study
of a Simple Model",
journal = j-IJQC,
volume = "62",
number = "2",
pages = "137--151",
day = "15",
month = mar,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:58 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42497;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42497&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Anglada:1997:RSM,
author = "Josep Maria Anglada and Josep Maria Bofill",
title = "On the Restricted Step Method Coupled with the
Augmented {Hessian} for the Search of Stationary Points
of Any Continuous Function",
journal = j-IJQC,
volume = "62",
number = "2",
pages = "153--165",
day = "15",
month = mar,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:58 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42498;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42498&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Tyutyulkov:1997:AMI,
author = "N. Tyutyulkov and F. Dietz and G. Olbrich",
title = "On Alternant Molecules with Identical Energy Spectra:
Isospectral Molecules",
journal = j-IJQC,
volume = "62",
number = "2",
pages = "167--169",
day = "15",
month = mar,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:58 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42499;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42499&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Ponec:1997:ERC,
author = "Robert Ponec",
title = "Electron Reorganization in Chemical Reactions: Pair
Population Analysis Along Concerted Reaction Path of
Allowed and Forbidden Pericyclic Reactions",
journal = j-IJQC,
volume = "62",
number = "2",
pages = "171--176",
day = "15",
month = mar,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:58 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42500;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42500&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Nunez-Yepez:1997:OOT,
author = "H. N. Nu{\~n}ez-Yepez and J. L. L{\'o}pez-Bonilla and
D. Navarrete and A. L. Salas-Brito",
title = "Oscillators in One and Two Dimensions and Ladder
Operators for the {Morse} and {Coulomb} Problems",
journal = j-IJQC,
volume = "62",
number = "2",
pages = "177--183",
day = "15",
month = mar,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:58 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42501;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42501&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Krissinel:1997:ANA,
author = "E. B. Krissinel and J. Jellinek",
title = "13-atom {Ni-Al} alloy clusters: {Structures} and
dynamics",
journal = j-IJQC,
volume = "62",
number = "2",
pages = "185--197",
day = "15",
month = mar,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:58 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42502;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42502&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Vilanove:1997:DVR,
author = "H. Vilanove and M. Jacon",
title = "Discrete Variable Representation Method Applied to the
Determination of Rotation-Vibration Bound States of
{NO$_2$}",
journal = j-IJQC,
volume = "62",
number = "2",
pages = "199--211",
day = "15",
month = mar,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:58 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42503;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42503&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Chen:1997:IRS,
author = "P. C. Chen",
title = "Internal Rotation Study of Some Sixfold Barrier
Molecules",
journal = j-IJQC,
volume = "62",
number = "2",
pages = "213--221",
day = "15",
month = mar,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:58 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42504;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42504&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Kinghorn:1997:IGF,
author = "Donald B. Kinghorn and R. D. Poshusta",
title = "Implementation of Gradient Formulas for Correlated
{Gaussians}: {He}, {$^\infty$He}, {Ps$_2$}, {$_9$Be},
and {$^\infty$Be} Test Results",
journal = j-IJQC,
volume = "62",
number = "2",
pages = "223--235",
day = "15",
month = mar,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:58 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42495;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42495&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Michl:1997:BRM,
author = "Josef Michl",
title = "Book Review: {\em Molecular and Biomolecular
Electronics}, {Robert R. Birge, Ed.}",
journal = j-IJQC,
volume = "62",
number = "2",
pages = "237--238",
day = "15",
month = mar,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:31:58 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42496;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42496&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Anonymous:1997:GESe,
author = "Anonymous",
title = "Guidelines for Electronic Submission",
journal = j-IJQC,
volume = "62",
number = "3",
pages = "i--??",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat May 17 15:01:20 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Berrondo:1997:RAS,
author = "M. Berrondo and J. R{\'e}camier",
title = "Resonances and Antibound States in a {Morse}
Potential",
journal = j-IJQC,
volume = "62",
number = "3",
pages = "239--244",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:01 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42506;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42506&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Li:1997:EEA,
author = "Jiabo Li and Ruben Pauncz",
title = "Efficient evaluation of the algebrants of {VB} wave
functions using the successive expansion method. {I}.
{Spin $S = 0, 1/2$}",
journal = j-IJQC,
volume = "62",
number = "3",
pages = "245--259",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:01 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42509;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42509&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Wybourne:1997:CTR,
author = "Brian G. Wybourne and Norbert Flocke and Jacek
Karwowski",
title = "Characters of Two-Row Representations of the Symmetric
Group",
journal = j-IJQC,
volume = "62",
number = "3",
pages = "261--264",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:01 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42510;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42510&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Sarkar:1997:DLN,
author = "Pranab Sarkar and S. P. Bhattacharyya",
title = "On the Dynamics of a Linear and a Nonlinear Quantum
Oscillator with Randomly Changing Harmonic Frequency",
journal = j-IJQC,
volume = "62",
number = "3",
pages = "265--272",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:01 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42511;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42511&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ugalde:1997:ESN,
author = "J. M. Ugalde and C. Sarasola",
title = "Evaluation of Screened Nuclear Attraction and Electron
Repulsion Molecular Integrals over {Gaussian} Basis
Functions",
journal = j-IJQC,
volume = "62",
number = "3",
pages = "273--278",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:01 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42512;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42512&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Kubli-Garfias:1997:EST,
author = "Carlos Kubli-Garfias",
title = "Electronic Structure of Testosterone: {A}
Semiempirical and Ab Initio Assessment",
journal = j-IJQC,
volume = "62",
number = "3",
pages = "279--289",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:01 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42513;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42513&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Jursic:1997:CBD,
author = "Branko S. Jursic",
title = "Computation of Bond Dissociation Energy for Sulfides
and Disulfides with Ab Initio and Density Functional
Theory Methods",
journal = j-IJQC,
volume = "62",
number = "3",
pages = "291--296",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:01 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42514;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42514&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Feng:1997:TSP,
author = "Wenlin Feng and Yan Wang and Shaowen Zhang",
title = "Theoretical study on the pyrolysis mechanism and
kinetics of $\beta$-hydroxyketones",
journal = j-IJQC,
volume = "62",
number = "3",
pages = "297--302",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:01 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42515;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42515&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Molder:1997:PSM,
author = "U. M{\"o}lder and I. Koppel and P. Burk and R.
Pikver",
title = "Photoelectron spectra of molecules. {II}. {Carboxylic}
acids and their esters",
journal = j-IJQC,
volume = "62",
number = "3",
pages = "303--314",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:01 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42516;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42516&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Bohm:1997:SMD,
author = "Stanislav B{\"o}hm and Diana Antipova and Josef
Kuthan",
title = "A Study of Methanetetraol Dehydration to Carbonic
Acid",
journal = j-IJQC,
volume = "62",
number = "3",
pages = "315--322",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:01 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42507;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42507&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Leao:1997:MOA,
author = "M. B. C. Le{\~a}o and A. C. Pav{\~a}o",
title = "Molecular Orbital Analysis of Chemical Carcinogens",
journal = j-IJQC,
volume = "62",
number = "3",
pages = "323--328",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:01 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42508;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42508&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Glyde:1997:ELS,
author = "H. R. Glyde and M. S. Sullivan",
title = "Excitations in Liquid and Solid Helium",
journal = j-IJQC,
volume = "62",
number = "3",
pages = "329--??",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat May 17 15:01:20 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1997:GESf,
author = "Anonymous",
title = "Guidelines for Electronic Submission",
journal = j-IJQC,
volume = "62",
number = "4",
pages = "i--??",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat May 17 15:01:20 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Yu:1997:DUG,
author = "Yaxiong Yu and Pancracio Palting and Ying-Nan Chiu",
title = "On the Decomposition of the Unitary Group and the
Multiple Coupling of Angular Momenta",
journal = j-IJQC,
volume = "62",
number = "4",
pages = "331--341",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:03 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42518;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42518&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{McDowell:1997:CGM,
author = "Sean A. C. McDowell",
title = "Computation of General Multipole Moment Expansions for
{$N$} Atoms by {MAPLE}",
journal = j-IJQC,
volume = "62",
number = "4",
pages = "343--351",
day = "15",
month = apr,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:03 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42521;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42521&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Harary:1997:CST,
author = "Frank Harary and Paul G. Mezey",
title = "Cell-Shedding Transformations, Equivalence Relations,
and Similarity Measures for Square-Cell
Configurations",
journal = j-IJQC,
volume = "62",
number = "4",
pages = "353--361",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:03 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42522;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42522&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Tenan:1997:TRF,
author = "M{\'a}rio A. Tenan and Marcus V. Mesquita and Ricardo
A. Mosna",
title = "The Transient Regime in {Frohlich}'s Condensation
Phenomenon in Biosystems",
journal = j-IJQC,
volume = "62",
number = "4",
pages = "363--372",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:03 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42523;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42523&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Glukhovtsev:1997:HLC,
author = "Mikhail N. Glukhovtsev and Robert D. Bach and Sergei
Laiter",
title = "High-Level Computational Study on the Thermochemistry
of Saturated and Unsaturated Three- and Four-Membered
Nitrogen and Phosphorus Rings",
journal = j-IJQC,
volume = "62",
number = "4",
pages = "373--384",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:03 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42524;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42524&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Bajdor:1997:ETS,
author = "Krzysztof Bajdor and Piotr Koczo{\'n} and Ewa
Wi\k{e}ckowska and W{\l}odzimierz Lewandowski",
title = "Experimental and Theoretical Studies on Vibrational
Structure of Metal Complexes with $m$-Halogenobenzoic
Acids",
journal = j-IJQC,
volume = "62",
number = "4",
pages = "385--392",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:03 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42525;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42525&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Yamaguchi:1997:IST,
author = "Yoichi Yamaguchi",
title = "Ab Initio Study of $n$-Tetrasilane Cation and Anion
Radicals as Models of Doped Linear Polysilanes",
journal = j-IJQC,
volume = "62",
number = "4",
pages = "393--401",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:03 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42526;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42526&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Soudackov:1997:EHC,
author = "Alexander V. Soudackov and Karl Jug",
title = "Effective {Hamiltonian}-crystal field on the {INDO}
level: {Calculations} of {\em d-d\/} spectra of some
iron {(II)} compounds",
journal = j-IJQC,
volume = "62",
number = "4",
pages = "403--418",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:03 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42527;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42527&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{El-Taher:1997:TSM,
author = "S. El-Taher",
title = "A Theoretical Study of Malononitrile Addition to
Carbonyl Compounds",
journal = j-IJQC,
volume = "62",
number = "4",
pages = "419--426",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:03 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42528;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42528&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Xu:1997:ISE,
author = "Wei-Xing Xu and K. D. Schierbaum and W. Goepel",
title = "Ab Initio Study of Electronic Structures of {Ptn}
Clusters ($n = 2$--$12$)",
journal = j-IJQC,
volume = "62",
number = "4",
pages = "427--436",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:03 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42519;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42519&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Huang:1997:DFO,
author = "Fu Qiang Huang and Au Chin Tang",
title = "Dihedral Fullerenes: Open, Closed, and Pseudoclosed
Shell",
journal = j-IJQC,
volume = "62",
number = "4",
pages = "437--446",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:03 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42520;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42520&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1997:GESg,
author = "Anonymous",
title = "Guidelines for Electronic Submission",
journal = j-IJQC,
volume = "62",
number = "5",
pages = "i--??",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat May 17 15:01:20 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Nunez:1997:RCC,
author = "Marco A. N{\'u}{\~n}ez",
title = "Rate of Convergence of Calculations with
One-Dimensional {Dirichlet} Wave Functions",
journal = j-IJQC,
volume = "62",
number = "5",
pages = "449--460",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:05 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42530;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42530&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ghosh:1997:UDF,
author = "Swapan K. Ghosh and Alok Samanta and B. M. Deb",
title = "Universal Density Functional Approach to the
Calculation of Correlation Energies of Atoms",
journal = j-IJQC,
volume = "62",
number = "5",
pages = "461--465",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:05 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42533;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42533&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Simos:1997:NNT,
author = "T. E. Simos",
title = "New {Numerov}-Type Methods for Computing Eigenvalues,
Resonances, and Phase Shifts of the Radial
{Schr{\"o}dinger} Equation",
journal = j-IJQC,
volume = "62",
number = "5",
pages = "467--475",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:05 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42534;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42534&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Rozas:1997:ACD,
author = "Isabel Rozas",
title = "Atomic Charges Derived from Different Methods: {A}
Comparative Study Applied to {SO$_2$} Heterocycles",
journal = j-IJQC,
volume = "62",
number = "5",
pages = "477--487",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:05 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42535;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42535&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Marino:1997:DFS,
author = "Tiziana Marino and Nino Russo and Marirosa Toscano",
title = "Density Functional Study of Oxo-Hydroxy Tautomerism of
5-Fluorouracil",
journal = j-IJQC,
volume = "62",
number = "5",
pages = "489--494",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:05 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42536;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42536&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Patra:1997:GTS,
author = "Swarna M. Patra and Rama K. Mishra and Bijaya K.
Mishra",
title = "Graph-Theoretic Study of Certain Interstellar
Reactions",
journal = j-IJQC,
volume = "62",
number = "5",
pages = "495--508",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:05 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42537;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42537&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Pranata:1997:ERC,
author = "Julianto Pranata",
title = "The Ene Reaction: Comparison of Results of
{Hartree--Fock}, {M{\o}ller--Plesset}, {CASSCF}, and
{DFT} Calculations",
journal = j-IJQC,
volume = "62",
number = "5",
pages = "509--514",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:05 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42538;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42538&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Jursic:1997:DFT,
author = "Branko S. Jursic",
title = "Density Functional Theory Study of Difluorovinylidene
Isomerization to Difluoroacetylene",
journal = j-IJQC,
volume = "62",
number = "5",
pages = "515--520",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:05 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42539;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42539&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Lievin:1997:USA,
author = "Jacques Li{\'e}vin and Nathalie Vaeck",
title = "Use of symmetry-adapted {Brillouin} theorem to analyze
the variational content of molecular wave functions
along potential energy surfaces: {Application} to
{BH$_2$} and {PO$_2$}",
journal = j-IJQC,
volume = "62",
number = "5",
pages = "521--541",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:05 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42540;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42540&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Tkacz-Smiech:1997:EDM,
author = "Katarzyna Tkacz-Smiech and Wies{\l}aw S. Ptak and
Andrzej Kolezynski",
title = "Electron Density in Metallic Crystal as an Extremal
with Moving Boundaries",
journal = j-IJQC,
volume = "62",
number = "5",
pages = "543--549",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:05 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42531;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42531&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Tewari:1997:IPO,
author = "Ravindra Tewari",
title = "Influence of {N(1)} protonation on the orientation of
the {N(6)} substituent in hypermodified nucleic acid
base {N$^6$}-(${N}$-glycylcarbonyl) adenine",
journal = j-IJQC,
volume = "62",
number = "5",
pages = "551--556",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:05 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42532;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42532&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Bracken:1997:CGI,
author = "Paul Bracken and Rodney J. Bartlett",
title = "Calculation of {Gaussian} Integrals Using Symbolic
Manipulation",
journal = j-IJQC,
volume = "62",
number = "6",
pages = "557--570",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:08 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42542;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42542&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Clementi:1997:NAC,
author = "Enrico Clementi and Giorgina Corongiu",
title = "Note on the Atomic Correlation Energy",
journal = j-IJQC,
volume = "62",
number = "6",
pages = "571--591",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:08 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42543;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42543&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Kravchenko:1997:AEP,
author = "Yu. P. Kravchenko and M. A. Liberman",
title = "On the Application of Extended Precision Arithmetic to
Quantum Mechanical Calculations",
journal = j-IJQC,
volume = "62",
number = "6",
pages = "593--601",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:08 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42544;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42544&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Filatov:1997:NCE,
author = "Michael Filatov and Walter Thiel",
title = "A Nonlocal Correlation Energy Density Functional from
a {Coulomb} Hole Model",
journal = j-IJQC,
volume = "62",
number = "6",
pages = "603--616",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:08 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42545;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42545&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Kollmar:1997:COR,
author = "Christian Kollmar",
title = "Convergence Optimization of Restricted Open-Shell
Self-Consistent Field Calculations",
journal = j-IJQC,
volume = "62",
number = "6",
pages = "617--637",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:08 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42546;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42546&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Jursic:1997:CPE,
author = "Branko S. Jursic",
title = "The Computation of the Potential Energy Surface for
{H$_2$ + {OH} $\rightarrow$ H$_2$O + H} Using Ab Initio
and Density Functional Theory Methods",
journal = j-IJQC,
volume = "62",
number = "6",
pages = "639--644",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:08 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42547;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42547&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Kovacs:1997:HBI,
author = "Attila Kov{\'a}cs and Istv{\'a}n Hargittai",
title = "Hydrogen-bonding interactions of the trifluoromethyl
group: 2-{Trifluoromethylvinyl} alcohol",
journal = j-IJQC,
volume = "62",
number = "6",
pages = "645--652",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:08 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42548;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42548&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Muinasmaa:1997:CBD,
author = "Urmas Muinasmaa and Peeter Burk and Jaan Pentchuk",
title = "Complexes Between Divalent Metals and Carboxylic
Acids: Semiempirical Study",
journal = j-IJQC,
volume = "62",
number = "6",
pages = "653--658",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:08 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42549;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42549&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Polak:1997:FDN,
author = "Rudolf Pol{\'a}k and Ivana Paidarov{\'a} and Philip J.
Kuntz",
title = "On the Fragmentation Dynamics of {NH}$_3$
$\rightarrow$ {NH}$_2$ + {H}. {II}
Diatomics-in-Molecules Potential Energy Surfaces",
journal = j-IJQC,
volume = "62",
number = "6",
pages = "659--668",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:08 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42550;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42550&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Anonymous:1997:GESh,
author = "Anonymous",
title = "Guidelines for Electronic Submission",
journal = j-IJQC,
volume = "63",
number = "1",
pages = "I--??",
day = "15",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Oct 10 17:04:49 MDT 1998",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lowdin:1997:I,
author = "Per-Olov L{\"o}wdin",
title = "Introduction",
journal = j-IJQC,
volume = "63",
number = "1",
pages = "1--2",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:10 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42552;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42552&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Pauncz:1997:RAJ,
author = "Ruben Pauncz",
title = "Reminiscences About {Jean-Louis Calais}",
journal = j-IJQC,
volume = "63",
number = "1",
pages = "3--3",
day = "15",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:10 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42563;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42563&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Avery:1997:FTA,
author = "John Avery and Wensheng Bian and John Loeser and Frank
Antonsen",
title = "{Fourier} Transform Approach to Potential Harmonics",
journal = j-IJQC,
volume = "63",
number = "1",
pages = "5--14",
day = "15",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:10 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42574;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42574&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Linderberg:1997:HAT,
author = "Jan Linderberg",
title = "Hybrids and Atomic Theory",
journal = j-IJQC,
volume = "63",
number = "1",
pages = "15--22",
day = "15",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:10 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42575;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42575&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Coleman:1997:AMF,
author = "A. John Coleman",
title = "The {AGP} Model for {Fermion} Systems",
journal = j-IJQC,
volume = "63",
number = "1",
pages = "23--30",
day = "15",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:10 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42576;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42576&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Mayer:1997:SPP,
author = "I. Mayer",
title = "Simple Proof of the Pairing Theorem",
journal = j-IJQC,
volume = "63",
number = "1",
pages = "31--33",
day = "15",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:10 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42577;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42577&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Sadlej:1997:CSE,
author = "Andrzej J. Sadlej",
title = "Constrained Solutions of the Eigenvalue Problem in
Truncated Basis Sets",
journal = j-IJQC,
volume = "63",
number = "1",
pages = "35--38",
day = "15",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:10 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42578;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42578&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Mezey:1997:QSM,
author = "Paul G. Mezey",
title = "Quantum Similarity Measures and {L{\"o}wdin}'s
Transform for Approximate Density Matrices and
Macromolecular Forces",
journal = j-IJQC,
volume = "63",
number = "1",
pages = "39--48",
day = "15",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:10 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42579;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42579&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Herman:1997:UCP,
author = "Zelek S. Herman",
title = "On the Use of the Character Projection Operator in the
Determination of the Symmetry of Molecular Orbitals and
in the Construction of Hybrid Bond Orbitals",
journal = j-IJQC,
volume = "63",
number = "1",
pages = "49--56",
day = "15",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:10 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42580;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42580&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Roothaan:1997:CJS,
author = "Clemens C. J. Roothaan and Shan-Tao Lai",
title = "Calculation of {3n-j} Symbols by {Labarthe}'s Method",
journal = j-IJQC,
volume = "63",
number = "1",
pages = "57--64",
day = "15",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:10 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42553;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42553&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Andrae:1997:NES,
author = "Dirk Andrae and Juergen Hinze",
title = "Numerical Electronic Structure Calculations for Atoms.
{I} Generalized Variable Transformation and
Nonrelativistic Calculations",
journal = j-IJQC,
volume = "63",
number = "1",
pages = "65--91",
day = "15",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:10 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42554;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42554&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Ley-Koo:1997:ERA,
author = "E. Ley-Koo and C. F. Bunge and R. J{\'a}uregui",
title = "Evaluation of Relativistic Atomic Integrals Using
Perimetric Coordinates",
journal = j-IJQC,
volume = "63",
number = "1",
pages = "93--97",
day = "15",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:10 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42555;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42555&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Srivastava:1997:IQH,
author = "Vipin Srivastava",
title = "Integer Quantum {Hall} Effect on {Abacus}",
journal = j-IJQC,
volume = "63",
number = "1",
pages = "99--104",
day = "15",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:10 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42556;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42556&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Mezey:1997:PMP,
author = "Paul G. Mezey",
title = "A Proof of the Metric Properties of the Symmetric
Scaling-Nesting Dissimilarity Measure and Related
Symmetry Deficiency Measures",
journal = j-IJQC,
volume = "63",
number = "1",
pages = "105--109",
day = "15",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:10 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42557;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42557&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Harriman:1997:LEM,
author = "John E. Harriman and Douglas E. Hoch",
title = "Locality of Exchange Matrices for Common {Gaussian}
Basis Sets",
journal = j-IJQC,
volume = "63",
number = "1",
pages = "111--119",
day = "15",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:10 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42558;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42558&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Mishra:1997:AOI,
author = "Manoj K. Mishra and D. A. Padmavathi and Herschel A.
Rabitz",
title = "Assessing the Options for Identifying Critically
Important Potential Surface Regions: Applications to
Nonadiabatic Transitions",
journal = j-IJQC,
volume = "63",
number = "1",
pages = "121--131",
day = "15",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:10 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42559;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42559&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Kibler:1997:GOS,
author = "Maurice Kibler and Levon G. Mardoyan and George S.
Pogosyan",
title = "On a Generalized Oscillator System: Interbasis
Expansions",
journal = j-IJQC,
volume = "63",
number = "1",
pages = "133--148",
day = "15",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:10 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42560;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42560&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Arimoto:1997:SAC,
author = "Shigeru Arimoto and Kenichi Fukui and Hiromu Ohno and
Keith F. Taylor and Paul G. Mezey",
title = "Structural Analysis of Certain Linear Operators
Representing Chemical Network Systems via the Existence
and Uniqueness Theorems of Spectral Resolution. {III}",
journal = j-IJQC,
volume = "63",
number = "1",
pages = "149--163",
day = "15",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:10 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42561;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42561&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Weinberger:1997:TLM,
author = "P. Weinberger and I. Turek and L. Szunyogh",
title = "The {TB-LMTO} Method and Its Relation to the Screened
{KKR} Method",
journal = j-IJQC,
volume = "63",
number = "1",
pages = "165--188",
day = "15",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:10 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42562;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42562&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Enkvist:1997:SCS,
author = "Christer Enkvist and David Edvardsson and Sten
Lunell",
title = "Spin Coupling in Shake-Up Processes",
journal = j-IJQC,
volume = "63",
number = "1",
pages = "189--196",
day = "15",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:10 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42564;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42564&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Hall:1997:SH,
author = "G. G. Hall and D. Rees",
title = "Spherical Hybrids",
journal = j-IJQC,
volume = "63",
number = "1",
pages = "197--214",
day = "15",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:10 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42565;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42565&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Klein:1997:HOD,
author = "Douglas J. Klein and Milan Randi{\'c} and Darko
Babi{\'c} and Bono Lu\v{c}i{\'c} and Sonja Nikoli{\'c}
and Nenad Trinajsti{\'c}",
title = "Hierarchical Orthogonalization of Descriptors",
journal = j-IJQC,
volume = "63",
number = "1",
pages = "215--222",
day = "15",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:10 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42566;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42566&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Calais:1997:FIB,
author = "Jean-Louis Calais and Wolf Weyrich",
title = "Finite and Infinite {Born-von K{\'a}rm{\'a}n}
Regions",
journal = j-IJQC,
volume = "63",
number = "1",
pages = "223--227",
day = "15",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:10 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42567;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42567&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Palma:1997:RRC,
author = "Alejandro Palma",
title = "Recurrence Relations and Closed Formulas Connecting
{Franck--Condon} Factors and Squeezed States",
journal = j-IJQC,
volume = "63",
number = "1",
pages = "229--232",
day = "15",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:10 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42568;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42568&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Peluso:1997:VCE,
author = "Andrea Peluso and Fabrizio Santoro and Giuseppe {Del
Re}",
title = "Vibronic Coupling in Electronic Transitions with
Significant Duschinsky Effect",
journal = j-IJQC,
volume = "63",
number = "1",
pages = "233--244",
day = "15",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:10 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42569;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42569&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Sato:1997:DND,
author = "Fumitoshi Sato and Yasuhiro Shigemitsu and Isao
Okazaki and Shuuichi Yahiro and Masahiro Fukue and
Shingo Kozuru and Hiroshi Kashiwagi",
title = "Development of a New Density Functional Program for
All-Electron Calculation of Proteins",
journal = j-IJQC,
volume = "63",
number = "1",
pages = "245--256",
day = "15",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:10 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42570;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42570&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Meissner:1997:IDE,
author = "Holger Mei{\ss}ner and E. Otto Steinborn",
title = "Iterative Determination of Eigenvalues of the
Time-Independent {Schr{\"o}dinger} Equation by the Use
of the Generalized {Bloch} Equation",
journal = j-IJQC,
volume = "63",
number = "1",
pages = "257--268",
day = "15",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:10 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42571;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42571&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Frolov:1997:EFS,
author = "Alexei M. Frolov and Vedene H. {Smith Jr.}",
title = "Exact Finite Series for the Few-Body Auxiliary
Functions",
journal = j-IJQC,
volume = "63",
number = "1",
pages = "269--278",
day = "15",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:10 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42572;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42572&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Moiseyev:1997:LMI,
author = "Nimrod Moiseyev",
title = "Localization of Multiphoton Ionization\slash
Dissociation Resonance Wave Functions in {AC} Fields",
journal = j-IJQC,
volume = "63",
number = "1",
pages = "279--285",
day = "15",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:10 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42573;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42573&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Koga:1997:RLL,
author = "Toshikatsu Koga and Tomomi Tanabe and Ajit J.
Thakkar",
title = "Radial Limit of Lithium Revisited",
journal = j-IJQC,
volume = "63",
number = "2",
pages = "287--290",
day = "20",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:12 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42582;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42582&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Ortiz:1997:PTO,
author = "J. V. Ortiz",
title = "Partial third-order quasiparticle theory: {An}
application to the photoelectron spectrum of
{S}-tetrazine",
journal = j-IJQC,
volume = "63",
number = "2",
pages = "291--299",
day = "20",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:12 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42593;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42593&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Martinez:1997:ARC,
author = "Ana Mart{\'\i}nez and Alberto Vela and Dennis R.
Salahub",
title = "Achieving reliability of calculations for flat
potential surfaces in density functional theory: {The}
case of {Al$_4$} and {Al$_4^{+1}$}",
journal = j-IJQC,
volume = "63",
number = "2",
pages = "301--311",
day = "20",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:12 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42603;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42603&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Aagren:1997:BTV,
author = "Hans {\AA}gren and Faris Gel'Mukhanov and Christoph
Liegener",
title = "Band Theory vs. Exciton Theory Interpretations of
{X}-Ray Spectra of Oligomers and Polymers",
journal = j-IJQC,
volume = "63",
number = "2",
pages = "313--332",
day = "20",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:12 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42604;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42604&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Masik:1997:AMM,
author = "Jozef M{\'a}\v{s}ik and J{\'a}n Urban and Pavel Mach
and Ivan Huba\v{c}",
title = "Applicability of multireference many-body perturbation
theory to the {Ne$_2^+$} molecule",
journal = j-IJQC,
volume = "63",
number = "2",
pages = "333--343",
day = "20",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:12 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42605;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42605&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Guo:1997:ESD,
author = "H. Guo and J. Paldus",
title = "Estimates of the Structure and Dimerization Energy of
Polyacetylene from Ab Initio Calculations on Finite
Polyenes",
journal = j-IJQC,
volume = "63",
number = "2",
pages = "345--360",
day = "20",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:12 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42606;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42606&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Huang:1997:MTD,
author = "Yuanhe Huang and Mayumi Okada and Kenichi Fukui and
Kazuyoshi Tanaka and Hiroo Aoki and Tokio Yamabe",
title = "Mixing of triply degenerated molecular orbitals in
{C$_{60}^{2-}$} and {C$_{60}^{3-}$}",
journal = j-IJQC,
volume = "63",
number = "2",
pages = "361--366",
day = "20",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:12 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42607;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42607&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Tang:1997:ESI,
author = "Au Chin Tang and Fu Qiang Huang",
title = "Electronic Structure of Icosahedral Fullerenes",
journal = j-IJQC,
volume = "63",
number = "2",
pages = "367--371",
day = "20",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:12 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42608;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42608&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Tapia:1997:QET,
author = "O. Tapia and V. Moliner and J. Andr{\'e}s",
title = "A quantum electronic theory of chemical processes ---
{The} inverted energy profile case: {CH$_3^+$} +
{H$_2$} reaction",
journal = j-IJQC,
volume = "63",
number = "2",
pages = "373--391",
day = "20",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:12 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42609;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42609&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Zhu:1997:ABN,
author = "H.-Y. Zhu and T. G. Schmalz and D. J. Klein",
title = "Alternant Boron Nitride Cages: {A} Theoretical Study",
journal = j-IJQC,
volume = "63",
number = "2",
pages = "393--401",
day = "20",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:12 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42583;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42583&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Lefebvre:1997:GFM,
author = "R. Lefebvre and O. Atabek",
title = "Gauges and fluxes in multiphoton absorption by
{H$_2^+$}",
journal = j-IJQC,
volume = "63",
number = "2",
pages = "403--414",
day = "20",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:12 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42584;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42584&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Bergson:1997:VMI,
author = "G{\"o}ran Bergson and Jean-Louis Calais and Jorge
Morales and Yngve {\"O}hrn",
title = "Vibrational Motion in Isotopomers of the {HeH}$^+$
Molecular Ion: An Application of the Electron Nuclear
Dynamics Method",
journal = j-IJQC,
volume = "63",
number = "2",
pages = "415--424",
day = "20",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:12 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42585;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42585&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Surjan:1997:CVS,
author = "P{\'e}ter R. Surj{\'a}n",
title = "Charge vs Spin Density Waves in the Fullerene
Polymer",
journal = j-IJQC,
volume = "63",
number = "2",
pages = "425--435",
day = "20",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:12 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42586;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42586&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Pohl:1997:ISA,
author = "Anna Pohl and Jean-Luc Br{\'e}das",
title = "Influence of Silicon Atoms on the $\pi$-Conjugation in
Electroluminescent Polymers",
journal = j-IJQC,
volume = "63",
number = "2",
pages = "437--440",
day = "20",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:12 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42587;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42587&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Karadakov:1997:ESB,
author = "Peter B. Karadakov and Michaela Ellis and Joseph
Gerratt and David L. Cooper and Mario Raimondi",
title = "The Electronic Structure of Borabenzene: Combination
of an Aromatic $\pi$-Sextet and a Reactive
$\sigma$-Framework",
journal = j-IJQC,
volume = "63",
number = "2",
pages = "441--449",
day = "20",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:12 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42588;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42588&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Berthier:1997:FFD,
author = "G. Berthier and M. Defranceschi and J. Navaza and G.
Tsoucaris",
title = "Form Factors Directly Determined from Momentum Space
{Hartree--Fock} Solutions: {H$_2$} and {Li$_2$}",
journal = j-IJQC,
volume = "63",
number = "2",
pages = "451--457",
day = "20",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:12 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42589;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42589&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Canuto:1997:ECE,
author = "Sylvio Canuto",
title = "Electron Correlation Effects on the Angular Momentum
Anisotropies of the Dipole Polarizabilities of the
First-Row Stable Atomic Anions",
journal = j-IJQC,
volume = "63",
number = "2",
pages = "459--463",
day = "20",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:12 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42590;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42590&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Deleuze:1997:CEV,
author = "Michael S. Deleuze and Lorenz S. Cederbaum",
title = "Correlation Effects in the Valence {X}-Ray
Photoionization Spectra of Ethylene, Butadiene, and
Hexatriene",
journal = j-IJQC,
volume = "63",
number = "2",
pages = "465--481",
day = "20",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:12 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42591;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42591&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Deleuze:1997:CPE,
author = "Michael S. Deleuze and Barry T. Pickup",
title = "The Coupled Perturbed Electron Propagator in the
Two-Particle-Hole and Extended Two-Particle-Hole
{Tamm--Dancoff} Approximations",
journal = j-IJQC,
volume = "63",
number = "2",
pages = "483--509",
day = "20",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:12 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42592;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42592&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Lushington:1997:ESM,
author = "Gerald H. Lushington and Pablo J. Bruna and Friedrich
Grein",
title = "Electron-spin magnetic moments of the {$^2\Sigma^+$}
ions {Li$_2^+$}, {Li$_2^-$}, and {Be$_2^+$}: {An} ab
initio {ROHF} study",
journal = j-IJQC,
volume = "63",
number = "2",
pages = "511--521",
day = "20",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:12 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42594;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42594&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Sodupe:1997:TSS,
author = "Mariona Sodupe and Vicen{\c{c}} Branchadell and
Antonio Oliva and Juan Bertran",
title = "Theoretical study of {ScCO$_2^+$}",
journal = j-IJQC,
volume = "63",
number = "2",
pages = "523--528",
day = "20",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:12 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42595;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42595&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Slanina:1997:CCC,
author = "Zden\v{e}k Slanina and Shyi-Long Lee and Ludwik
Adamowicz",
title = "{C$_{80}$}, {C$_{86}$}, {C$_{88}$}: Semiempirical and
Ab Initio {SCF} Calculations",
journal = j-IJQC,
volume = "63",
number = "2",
pages = "529--535",
day = "20",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:12 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42596;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42596&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Hermansson:1997:CBI,
author = "Kersti Hermansson and Michael Probst",
title = "Correlation Between Intramolecular Bond Distances and
Stretching Vibrations for Polar Molecules: An Ab Initio
Study",
journal = j-IJQC,
volume = "63",
number = "2",
pages = "537--546",
day = "20",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:12 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42597;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42597&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Harcourt:1997:VBS,
author = "Richard D. Harcourt",
title = "Valence Bond Studies of the {$D_{2h}$} Isomer of
{$O_4$}: An Interim Report",
journal = j-IJQC,
volume = "63",
number = "2",
pages = "547--555",
day = "20",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:12 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42598;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42598&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Neogrady:1997:IPE,
author = "Pavel Neogr{\'a}dy and Vladimir Kell{\"o} and Miroslav
Urban and Andrzej J. Sadlej",
title = "Ionization Potentials and Electron Affinities of {Cu},
{Ag}, and {Au}: Electron Correlation and Relativistic
Effects",
journal = j-IJQC,
volume = "63",
number = "2",
pages = "557--565",
day = "20",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:12 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42599;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42599&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Berthier:1997:TSB,
author = "G. Berthier and R. Savinelli and A. Pullman",
title = "Theoretical Study of the Binding of the Chloride Anion
to Water and Alcohols",
journal = j-IJQC,
volume = "63",
number = "2",
pages = "567--574",
day = "20",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:12 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42600;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42600&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Eriksson:1997:IMP,
author = "Leif A. Eriksson and Olga L. Malkina and Vladimir G.
Malkin and Dennis R. Salahub",
title = "Investigation of {M}{\"o}ssbauer Parameters for a Set
of Iodine Compounds Using Gradient-Corrected Density
Functional Theory",
journal = j-IJQC,
volume = "63",
number = "2",
pages = "575--583",
day = "20",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:12 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42601;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42601&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Randic:1997:RCB,
author = "Milan Randi{\'c}",
title = "Resonance in Catacondensed Benzenoid Hydrocarbons",
journal = j-IJQC,
volume = "63",
number = "2",
pages = "585--600",
day = "20",
month = may,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:12 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42602;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42602&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Nooijen:1997:ALR,
author = "Marcel Nooijen and Rodney J. Bartlett",
title = "Analysis of Long-Range Effects in Many-Body
Correlation Approaches for One-Dimensional Periodic
Systems",
journal = j-IJQC,
volume = "63",
number = "3",
pages = "601--614",
day = "5",
month = jun,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:15 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42611;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42611&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Younk:1997:IIE,
author = "Edward H. Younk and A. Barry Kunz",
title = "An Ab Initio Investigation of the Electronic Structure
of Lithium Azide {(LiN$_3$)}, Sodium Azide {(NaN$_3$)},
and Lead Azide (Pb {(N$_3$)$_2$})",
journal = j-IJQC,
volume = "63",
number = "3",
pages = "615--621",
day = "5",
month = jun,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:15 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42622;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42622&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Seel:1997:CLS,
author = "M. Seel",
title = "Core-Level Shifts and Their Relation to Surface
Effects and Dimensionality of a System",
journal = j-IJQC,
volume = "63",
number = "3",
pages = "623--629",
day = "5",
month = jun,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:15 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42623;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42623&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Ladik:1997:CCE,
author = "Janos J. Ladik",
title = "Correlation-Corrected Energy Band (Level) Structures
of Low-Dimensional Systems",
journal = j-IJQC,
volume = "63",
number = "3",
pages = "631--635",
day = "5",
month = jun,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:15 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42624;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42624&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Tanaka:1997:BAC,
author = "Kazuyoshi Tanaka and Hiroki Ago and Tokio Yamabe and
Kenji Okahara and Mayumi Okada",
title = "Bond Alternation in Carbon Nanotubes Including
$\sigma$-Electrons",
journal = j-IJQC,
volume = "63",
number = "3",
pages = "637--644?",
day = "5",
month = jun,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:15 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42625;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42625&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Fulde:1997:SDI,
author = "Peter Fulde and Patrick Unger and Jun-Ichi Igarashi",
title = "Spectral Densities of Infinite Systems with Strong
Electron Correlations",
journal = j-IJQC,
volume = "63",
number = "3",
pages = "645--653",
day = "5",
month = jun,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:15 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42626;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42626&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Larsson:1997:CPV,
author = "Sven Larsson and Lucia Rodriguez-Monge",
title = "Conductivity in Polyacetylene. {VI.}
Semiconductor-Metal Transition of Alkali-Doped
Polymer",
journal = j-IJQC,
volume = "63",
number = "3",
pages = "655--665",
day = "5",
month = jun,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:15 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42627;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42627&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Berggren:1997:DOD,
author = "Karl-Fredrik Berggren and Chuan-Kui Wang",
title = "Different Orbitals for Different Electrons in a System
of Intersecting Quantum Wires",
journal = j-IJQC,
volume = "63",
number = "3",
pages = "667--673",
day = "5",
month = jun,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:15 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42628;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42628&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Dunne:1997:DLR,
author = "Lawrence J. Dunne and John N. Murrell and Erkki J.
Br{\"a}ndas",
title = "Off-Diagonal Long-Range Order, $\eta$-Pairing, and
{Friedel} Oscillations in High {T$_c$} Cuprate
Superconductors and the Ground State of the Extended
{Hubbard} Model",
journal = j-IJQC,
volume = "63",
number = "3",
pages = "675--684",
day = "5",
month = jun,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:15 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42629;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42629&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Jug:1997:EMC,
author = "Karl Jug and Andr{\'e} M. Schmidt and Heiko Gerwens",
title = "Electrostatic Model Calculations on Multiple
Adsorption at {NaCl} Surfaces",
journal = j-IJQC,
volume = "63",
number = "3",
pages = "685--693",
day = "5",
month = jun,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:15 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42612;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42612&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{March:1997:SCC,
author = "N. H. March",
title = "Some Cluster and Condensed-Phase Properties of Light
Elements: {B} to {P}",
journal = j-IJQC,
volume = "63",
number = "3",
pages = "695--707",
day = "5",
month = jun,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:15 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42613;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42613&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Flamant:1997:NSE,
author = "I. Flamant and J. Delhalle and J. G. Fripiat",
title = "Numerical Study of the Exchange Effects in the Valence
and Core Energy Bands of the Metallic Lithium Chain",
journal = j-IJQC,
volume = "63",
number = "3",
pages = "709--718",
day = "5",
month = jun,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:15 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42614;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42614&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Karlsson:1997:DSA,
author = "H. O. Karlsson and G. L. Bendazzoli and O. Goscinski
and S. Evangelisti",
title = "Density of States of Alternant Cyclic Polyenes {(CH)N}
by a Direct {Lanczos} Method",
journal = j-IJQC,
volume = "63",
number = "3",
pages = "719--728",
day = "5",
month = jun,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:15 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42615;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42615&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Stashans:1997:SCW,
author = "Arvids Stashans and Sten Lunell",
title = "Semiempirical Calculations on {WO$_3$} and
{M$_x$WO$_3$} Crystals ({M} = {H}, {Li}, {Na})",
journal = j-IJQC,
volume = "63",
number = "3",
pages = "729--735",
day = "5",
month = jun,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:15 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42616;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42616&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Novakovskaya:1997:PSN,
author = "Yulia V. Novakovskaya and Nikolai F. Stepanov",
title = "The Problem of Small Negatively Ionized Water
Clusters",
journal = j-IJQC,
volume = "63",
number = "3",
pages = "737--748",
day = "5",
month = jun,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:15 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42617;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42617&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Pettersson:1997:ADB,
author = "Lars G. M. Pettersson and Hans {\AA}gren and Britta L.
Sch{\"u}rmann and Andreas Lippitz and Wolfgang E. S.
Unger",
title = "Assembly and Decomposition of Building Blocks to
Analyze Polymer {NEXAFS} Spectra",
journal = j-IJQC,
volume = "63",
number = "3",
pages = "749--765",
day = "5",
month = jun,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:15 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42618;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42618&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Pardo:1997:SAM,
author = "Leonardo Pardo and Harel Weinstein",
title = "On the Structure and Activity of Membrane Receptors:
{A} Computational Simulation of Ligand-Triggered
Activation in a Model {5-HT$_{1A}$} Receptor",
journal = j-IJQC,
volume = "63",
number = "3",
pages = "767--780",
day = "5",
month = jun,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:15 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42619;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42619&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Cory:1997:EES,
author = "Marshall G. Cory and Krassimir K. Stavrev and Michael
C. Zerner",
title = "An Examination of the Electronic Structure and
Spectroscopy of High- and Low-Spin Model Ferredoxin via
Several {SCF} and {CI} Techniques",
journal = j-IJQC,
volume = "63",
number = "3",
pages = "781--795",
day = "5",
month = jun,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:15 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42620;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42620&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Klasinc:1997:LRE,
author = "Leo Klasinc and Ljiljana Pa\v{s}a-Toli{\'c} and
Dra\v{z}en Viki{\'c}-Topi{\'c} and Jan V. Knop and Sean P.
McGlynn",
title = "Long-range electronic interactions in
androstanediones",
journal = j-IJQC,
volume = "63",
number = "3",
pages = "797--803",
day = "5",
month = jun,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:15 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42621;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42621&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Mourik:1997:RDN,
author = "Tanja van Mourik and Robert Jan Vos and Joop H. van
Lenthe and Frans B. van Duijneveldt",
title = "Removal of dependencies from nearly complete basis
sets. {Calculations} on the helium dimer",
journal = j-IJQC,
volume = "63",
number = "4",
pages = "805--815",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:17 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42631;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42631&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Sarkar:1997:LSF,
author = "Jayanta Sarkar and Manas Banerjee and Asok K.
Mukherjee",
title = "{Lucas} Sequences and {Fibonacci} Triads of Graphs in
{PMO} Calculation on the Charge-Transfer Bands of a
Series of {EDA} Complexes: Correlation with
Experimental and {AM1} Results",
journal = j-IJQC,
volume = "63",
number = "4",
pages = "817--825",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:17 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42632;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42632&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Almeida:1997:ESG,
author = "Rafael Almeida and Daniel A. Morales",
title = "Exact Solution to a General Quantum Mechanical Problem
with Time-Dependent Boundary Conditions",
journal = j-IJQC,
volume = "63",
number = "4",
pages = "827--833",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:17 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42633;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42633&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Karwowski:1997:DLV,
author = "Jacek Karwowski and Oscar N. Ventura and Ma{\l}gorzata
Bancewicz",
title = "Density of Levels in Vibrational Spectra of
Molecules",
journal = j-IJQC,
volume = "63",
number = "4",
pages = "835--842",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:17 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42634;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42634&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Mekelleche:1997:COE,
author = "Sidi Mohamed Mekelleche and Abdellatif Baba-Ahmed",
title = "Calculation of the One-Electron Two-Center Integrals
Over {Slater}-Type Orbitals by Means of the Ellipsoidal
Coordinates Method",
journal = j-IJQC,
volume = "63",
number = "4",
pages = "843--852",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:17 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42635;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42635&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Sizova:1997:SCE,
author = "O. V. Sizova and V. I. Baranovski and N. V. Ivanova
and A. I. Panin",
title = "Semiempirical Calculations of Electronic Spectra of
{Ru(II)} and {Ru(III)} Compounds in Restricted Active
Space {CI} Approximation",
journal = j-IJQC,
volume = "63",
number = "4",
pages = "853--860",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:17 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42636;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42636&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Bell:1997:DID,
author = "Robert L. Bell and Deni L. Taveras and Thanh N. Truong
and Jack Simons",
title = "A Direct Ab Initio Dynamics Study of the
Water-Assisted Tautomerization of Formamide",
journal = j-IJQC,
volume = "63",
number = "4",
pages = "861--874",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:17 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42637;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42637&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Gonzales:1997:CCC,
author = "Nick Gonzales and Jack Simons",
title = "$^{13}${C} carbonyl chemical shielding tensors:
{Comparing} {SCF}, {MBPT (2)}, and {DFT} predictions to
experiment",
journal = j-IJQC,
volume = "63",
number = "4",
pages = "875--894",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:17 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42638;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42638&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Nolting:1997:ERS,
author = "V. Nolting and W. S. Verwoerd",
title = "Extrapolation of real-space quantum chemical
calculations from finite-size supercells to the ideal
infinite system. {III}. {Application} to
two-dimensional systems",
journal = j-IJQC,
volume = "63",
number = "4",
pages = "895--911",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:17 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42639;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42639&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Harris:1997:NAC,
author = "Frank E. Harris",
title = "New Approach to Calculation of the Leaky Aquifer
Function",
journal = j-IJQC,
volume = "63",
number = "5",
pages = "913--916",
month = "????",
year = "1997",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/(SICI)1097-461X(1997)63:5<913::AID-QUA1>3.0.CO;2-Z",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 4 06:59:09 MDT 2011",
bibsource = "Compendex database;
http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/bibnet/authors/h/harris-frank-e.bib;
https://www.math.utah.edu/pub/tex/bib/elefunt.bib;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
https://www.math.utah.edu/pub/tex/bib/ijqc1990.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42641;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42641&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
journalabr = "Int J Quant Chem",
onlinedate = "6 Dec 1998",
}
@Article{Ghanty:1997:DFS,
author = "Tapan K. Ghanty and Swapan K. Ghosh",
title = "Density Functional Study of the Relationship Between
Energy, Hardness, and Polarizability of Molecules in
Nonequilibrium Situations",
journal = j-IJQC,
volume = "63",
number = "5",
pages = "917--926",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:20 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42642;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42642&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Pinheiro:1997:GCH,
author = "J. C. Pinheiro and A. B. F. {Da Silva} and M. Trsic",
title = "Generator Coordinate {Hartree--Fock} Method Applied to
the Choice of a Contracted {Gaussian} Basis for the
Second-Row Atoms",
journal = j-IJQC,
volume = "63",
number = "5",
pages = "927--934",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:20 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42643;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42643&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Taseli:1997:BBA,
author = "H. Ta{\c{s}}eli and A. Zafer",
title = "{Bessel} Basis with Applications: {$N$}-Dimensional
Isotropic Polynomial Oscillators",
journal = j-IJQC,
volume = "63",
number = "5",
pages = "935--947",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:20 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42644;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42644&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Taseli:1997:MLB,
author = "H. Ta{\c{s}}eli",
title = "Modified {Laguerre} Basis for Hydrogen-like Systems",
journal = j-IJQC,
volume = "63",
number = "5",
pages = "949--959",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:20 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42645;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42645&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Katriel:1997:PCS,
author = "Jacob Katriel",
title = "Products of Class Sums of the Symmetric Group: Rules
of Partial Elimination",
journal = j-IJQC,
volume = "63",
number = "5",
pages = "961--979",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:20 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42646;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42646&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Guan:1997:ALA,
author = "Daren Guan and Xizhang Yi and Shiliang Ding and Benhui
Yang",
title = "Application of the {Lie} Algebraic Approach to
Diffractionally and Rotationally Inelastic
Molecule-Surface Scattering",
journal = j-IJQC,
volume = "63",
number = "5",
pages = "981--989",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:20 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42647;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42647&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Gilmore:1997:AFD,
author = "D. W. Gilmore and P. M. Kozlowski and D. B. Kinghorn
and L. Adamowicz",
title = "Analytic First Derivatives for Explicitly Correlated,
Multicenter, {Gaussian} Geminals",
journal = j-IJQC,
volume = "63",
number = "5",
pages = "991--999",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:20 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42648;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42648&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Alexander:1997:AWF,
author = "S. A. Alexander and R. L. Coldwell",
title = "Atomic Wave Function Forms",
journal = j-IJQC,
volume = "63",
number = "5",
pages = "1001--1022",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:20 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42649;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42649&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Evans:1997:BNS,
author = "Jeremy N. S. Evans and C. R. Bowers",
title = "Biomolecular {NMR} Spectroscopy",
journal = j-IJQC,
volume = "63",
number = "5",
pages = "1023--??",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Oct 10 17:04:49 MDT 1998",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1997:GESi,
author = "Anonymous",
title = "Guidelines for Electronic Submission",
journal = j-IJQC,
volume = "63",
number = "6",
pages = "XI--??",
day = "5",
month = jul,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Oct 10 17:04:49 MDT 1998",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1997:VTCb,
author = "Anonymous",
title = "Volume Table of Contents",
journal = j-IJQC,
volume = "63",
number = "6",
pages = "I--??",
day = "5",
month = jul,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Oct 10 17:04:49 MDT 1998",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lopez-Boada:1997:EEM,
author = "R. L{\'o}pez-Boada and R. Pino and E. V. Lude{\~n}a",
title = "Explicit Expressions for {T$_s[\rho]$} and
{E$_x[\rho]$} by Means of {Pad{\'e}} Approximants to
Local-Scaling Transformations",
journal = j-IJQC,
volume = "63",
number = "6",
pages = "1025--??",
day = "5",
month = jul,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Shroll:1997:RCG,
author = "R. M. Shroll and W. D. Edwards",
title = "Restricted {CIS} Gradients via {CPHF} Equations",
journal = j-IJQC,
volume = "63",
number = "6",
pages = "1037--??",
day = "5",
month = jul,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Bersuker:1997:MCQ,
author = "I. B. Bersuker and M. K. Leong and J. E. Boggs and R.
S. Pearlman",
title = "A Method of Combined Quantum Mechanical
({QM})/Molecular Mechanics [{MM}] Treatment of Large
Polyatomic Systems with Charge Transfer Between the
{QM} and {MM} Fragments",
journal = j-IJQC,
volume = "63",
number = "6",
pages = "1051--??",
day = "5",
month = jul,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Newman:1997:VAG,
author = "F. T. Newman",
title = "A very accurate grid method for the solution of
{Schr{\"o}dinger} equations: {The} helium ground
state",
journal = j-IJQC,
volume = "63",
number = "6",
pages = "1065--1078",
day = "5",
month = jul,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42651;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42651&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{DePrunele:1997:PSR,
author = "E. {De Prunel{\'e}}",
title = "Power Series with Rational Coefficients for
Two-Electron Atom Energies",
journal = j-IJQC,
volume = "63",
number = "6",
pages = "1079--1089",
day = "5",
month = jul,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42652;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42652&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Derecskei-Kovacs:1997:NWFb,
author = "A. Derecskei-Kovacs and D. S. Marynick",
title = "Nonempirical Wave Functions for Very Large Molecules.
{III}. Extension of the {PRDDO\slash M} and
{PRDDO\slash M\slash FCP} Method to Main-Row Elements
{Ga}--{Br}",
journal = j-IJQC,
volume = "63",
number = "6",
pages = "1091--??",
day = "5",
month = jul,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{SreedharaRao:1997:SBC,
author = "V. {Sreedhara Rao} and A. K. Chandra",
title = "A Study of Bond-Cleavage and Bond-Formation Processes
in Some Simple Metathesis Reactions",
journal = j-IJQC,
volume = "63",
number = "6",
pages = "1099--1106",
day = "5",
month = jul,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42653;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42653&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Mosyagin:1997:GRE,
author = "N. S. Mosyagin and A. V. Titov and Z. Latajka",
title = "Generalized Relativistic Effective Core Potential:
{Gaussian} Expansions of Potentials and Pseudospinors
for Atoms {Hg} Through {Rn}",
journal = j-IJQC,
volume = "63",
number = "6",
pages = "1107--1122",
day = "5",
month = jul,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42654;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42654&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Oberbrodhage:1997:MDS,
author = "J. Oberbrodhage and H. Morgner and O. Tapia and H. O.
G. Siegbahn",
title = "Molecular Dynamics Simulation of the Free Surface of
Liquid Formamide",
journal = j-IJQC,
volume = "63",
number = "6",
pages = "1123--1131",
day = "5",
month = jul,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:22 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42655;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42655&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Enkvist:1997:SAQ,
author = "C. Enkvist",
title = "Strategies and Applications in Quantum Chemistry: From
Molecular Astrophysics to Molecular Engineering. Edited
by {Y. Ellinger} and {M. Defranceschi}",
journal = j-IJQC,
volume = "63",
number = "6",
pages = "1133--??",
day = "5",
month = jul,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Anonymous:1997:VTPb,
author = "Anonymous",
title = "Volume Title Page",
journal = j-IJQC,
volume = "63",
number = "6",
pages = "1135--??",
day = "5",
month = jul,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Oct 10 17:04:49 MDT 1998",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1997:I,
author = "Anonymous",
title = "Introduction",
journal = j-IJQC,
volume = "64",
number = "1",
pages = "1--5",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:24 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42657;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42657&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Holas:1997:FBE,
author = "A. Holas and N. H. March",
title = "Force Balance Equations in Inhomogeneous Classical and
Quantal Liquids",
journal = j-IJQC,
volume = "64",
number = "1",
pages = "21--29",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:24 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42661;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42661&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Fano:1997:EAM,
author = "U. Fano",
title = "Evolution of Atomic-Molecular Eigenchannels",
journal = j-IJQC,
volume = "64",
number = "1",
pages = "31--33",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:24 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42662;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42662&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Hosoya:1997:BED,
author = "Haruo Hosoya",
title = "Back-of-envelope derivation of the analytical formulas
of the atomic wave functions of a {$D$}-dimensional
atom",
journal = j-IJQC,
volume = "64",
number = "1",
pages = "35--42",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:24 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42663;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42663&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Surjan:1997:TOM,
author = "P{\'e}ter R. Surj{\'a}n and C. {P{\'e}rez Del Valle} and
Luis Lain",
title = "Third-Order Many-Body Perturbation Theory for
Intermolecular Interactions. {I}. {Hartree--Fock}
Level",
journal = j-IJQC,
volume = "64",
number = "1",
pages = "43--51",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:24 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42664;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42664&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Atabek:1997:NEM,
author = "O. Atabek",
title = "Nonadiabatic Effects in Multiphoton Dissociation
Dynamics",
journal = j-IJQC,
volume = "64",
number = "1",
pages = "53--61",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:24 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42665;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42665&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Fruchtl:1997:IRS,
author = "Herbert A. Fr{\"u}chtl and Rick A. Kendall and Robert
J. Harrison and Kenneth G. Dyall",
title = "An Implementation of {RI-SCF} on Parallel Computers",
journal = j-IJQC,
volume = "64",
number = "1",
pages = "63--69",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:24 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42666;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42666&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Yi:1997:TEC,
author = "Z.-G. Yi and D. Bek\v{s}i{\'c} and D. A. Micha",
title = "Time Evolution of {CO} Vibrational Populations During
Photodesorption by Light Pulses",
journal = j-IJQC,
volume = "64",
number = "1",
pages = "71--83",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:24 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42667;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42667&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Pipek:1997:SED,
author = "J{\'a}nos Pipek and Imre Varga",
title = "Statistical Electron Densities",
journal = j-IJQC,
volume = "64",
number = "1",
pages = "85--93",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:24 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42668;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42668&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Grabo:1997:OEP,
author = "T. Grabo and E. K. U. Gross",
title = "The Optimized Effective Potential Method of Density
Functional Theory: Applications to Atomic and Molecular
Systems",
journal = j-IJQC,
volume = "64",
number = "1",
pages = "95--110",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:24 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42658;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42658&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Lefebvre:1997:AGT,
author = "R. Lefebvre",
title = "Adiabaticity and Gauge Transformations for an
Oscillator Coupled to a Single-Mode Field",
journal = j-IJQC,
volume = "64",
number = "1",
pages = "111--119",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:24 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42659;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42659&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Pratt:1997:BIM,
author = "Lawrence R. Pratt and Gregory J. Tawa and Gerhard
Hummer and Angel E. Garc{\'\i}a and Steven A.
Corcelli",
title = "Boundary Integral Methods for the {Poisson} Equation
of Continuum Dielectric Solvation Models",
journal = j-IJQC,
volume = "64",
number = "1",
pages = "121--141",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:24 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42660;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42660&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Tawa:1997:RFS,
author = "Gregory J. Tawa and Richard L. Martin and Lawrence R.
Pratt",
title = "Reaction Field Spectral Shifts with Semiempirical
Molecular Orbital Theory",
journal = j-IJQC,
volume = "64",
number = "2",
pages = "143--155",
day = "5",
month = aug,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:27 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42670;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42670&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Lowdin:1997:SAD,
author = "Per-Olov L{\"o}wdin",
title = "Some Aspects on the Development of the Natural
Sciences and Their Importance for Modern Society and
for Our Global Environment",
journal = j-IJQC,
volume = "64",
number = "2",
pages = "157--169",
day = "5",
month = aug,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:27 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42677;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42677&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Ju:1997:IIE,
author = "Guan-Zhi Ju and Ning Ju",
title = "On Intra- and Interpair Electron Correlation in
{LiF$_2$}",
journal = j-IJQC,
volume = "64",
number = "2",
pages = "171--174",
day = "5",
month = aug,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:27 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42678;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42678&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Parry:1997:IPA,
author = "David E. Parry",
title = "Ab Initio Propagator Analysis of the Valence
Double-Ionization Spectra of Propyne",
journal = j-IJQC,
volume = "64",
number = "2",
pages = "175--182",
day = "5",
month = aug,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:27 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42679;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42679&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Gutowski:1997:EDB,
author = "Maciej Gutowski and Piotr Skurski and Kenneth D.
Jordan and Jack Simons",
title = "Energies of Dipole-Bound Anionic States",
journal = j-IJQC,
volume = "64",
number = "2",
pages = "183--191",
day = "5",
month = aug,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:27 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42680;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42680&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Dunlap:1997:ADF,
author = "Brett I. Dunlap",
title = "Accurate Density-Functional Calculations on Large
Systems",
journal = j-IJQC,
volume = "64",
number = "2",
pages = "193--203",
day = "5",
month = aug,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:27 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42681;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42681&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Politzer:1997:DFI,
author = "Peter Politzer and Jorge M. Seminario and Monica C.
Concha and Ang{\'e}lica G. Zacari{\'a}s",
title = "Density-Functional Investigation of Some Decomposition
Routes of Methyl Nitrate",
journal = j-IJQC,
volume = "64",
number = "2",
pages = "205--210",
day = "5",
month = aug,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:27 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42682;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42682&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Zulicke:1997:IVW,
author = "L. Z{\"u}licke and F. Ragnetti and R. Neumann and Ch.
Zuhrt",
title = "Ionized {van der Waals} Systems: Structure and
Interactions",
journal = j-IJQC,
volume = "64",
number = "2",
pages = "211--222",
day = "5",
month = aug,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:27 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42683;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42683&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Castro:1997:RJT,
author = "Miguel Castro",
title = "The role of the {Jahn--Teller} distortions on the
structural, binding, and magnetic properties of small
{Fe$_n$} clusters, $n \leq 7$",
journal = j-IJQC,
volume = "64",
number = "2",
pages = "223--230",
day = "5",
month = aug,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:27 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42684;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42684&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Arulmozhiraja:1997:SCH,
author = "S. Arulmozhiraja and P. Kolandaivel",
title = "Studies of Chemical Hardness and Chemical Potential on
Isomers and Hardness Profiles of Hydrogen-Bonded
Systems",
journal = j-IJQC,
volume = "64",
number = "2",
pages = "231--242",
day = "5",
month = aug,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:27 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42671;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42671&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Miao:1997:LCC,
author = "M. S. Miao and P. E. {Van Camp} and V. E. {Van Doren}
and J. J. Ladik and J. W. Mintmire",
title = "An {LDA} Calculation of the Conformation and
Electronic Structure of Polytetrafluoroethylene",
journal = j-IJQC,
volume = "64",
number = "2",
pages = "243--246",
day = "5",
month = aug,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:27 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42672;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42672&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Chen:1997:SES,
author = "Tian-Lang Chen and Shen-Xiu Xiao and Ping Li",
title = "Studies on the Electronic Structure and Chemical Bond
of Urea-Nitrate",
journal = j-IJQC,
volume = "64",
number = "2",
pages = "247--248",
day = "5",
month = aug,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:27 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42673;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42673&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Kubli-Garfias:1997:CAS,
author = "Carlos Kubli-Garfias and Ricardo Vazquez and Jes{\'u}s
Mendieta",
title = "Comparative {AM1} Study of the Electronic Structure of
Etiocholanes",
journal = j-IJQC,
volume = "64",
number = "2",
pages = "249--254",
day = "5",
month = aug,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:27 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42674;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42674&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Jursic:1997:CSI,
author = "Branko S. Jursic",
title = "Computation of Some Ionization Potentials for
Second-Row Elements by Ab Initio and Density Functional
Theory Methods",
journal = j-IJQC,
volume = "64",
number = "2",
pages = "255--261",
day = "5",
month = aug,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:27 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42675;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42675&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Jursic:1997:CGF,
author = "Branko S. Jursic",
title = "Computation of Geometries and Frequencies of Singlet
and Triplet Nitromethane with Density Functional Theory
Using {Gaussian}-Type Orbitals",
journal = j-IJQC,
volume = "64",
number = "2",
pages = "263--269",
day = "5",
month = aug,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:27 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42676;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42676&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{McGlynn:1997:DPA,
author = "Se{\'a}n E. McGlynn and Robert J. Livingston",
title = "The Distribution of Polynuclear Aromatic Hydrocarbons
Between Aquatic Plants and Sediments",
journal = j-IJQC,
volume = "64",
number = "3",
pages = "271--283",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:29 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42686;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42686&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Ernzerhof:1997:CCD,
author = "Matthias Ernzerhof and John P. Perdew and Kieron
Burke",
title = "Coupling-Constant Dependence of Atomization Energies",
journal = j-IJQC,
volume = "64",
number = "3",
pages = "285--295",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:29 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42687;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42687&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Boudreaux:1997:QSM,
author = "E. A. Boudreaux and E. Baxter",
title = "{QR-SCMEH-MO} calculations on lanthanide systems.
{IV}. {The [SmCp*]$_4$} cluster",
journal = j-IJQC,
volume = "64",
number = "3",
pages = "297--300",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:29 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42688;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42688&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Mitani:1997:GOP,
author = "Masaki Mitani and Yuriko Aoki and Akira Imamura",
title = "Geometry Optimization of Polymers by the Elongation
Method",
journal = j-IJQC,
volume = "64",
number = "3",
pages = "301--323",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:29 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42689;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42689&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Aoki:1997:MOA,
author = "Yuriko Aoki and Tomofumi Tada and Akira Imamura",
title = "Molecular Orbital Approach to the {Peierls}
Instability in Polyenes and Its Application to Model
Crystals of Charge-Transfer Complexes",
journal = j-IJQC,
volume = "64",
number = "3",
pages = "325--336",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:29 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42690;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42690&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Lee:1997:HRF,
author = "Shyi-Long Lee and Chung-Kung Lee",
title = "Heterogeneous Reactions Over Fractal Surfaces: {A}
Multifractal Scaling Analysis",
journal = j-IJQC,
volume = "64",
number = "3",
pages = "337--350",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:29 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42691;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42691&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Forner:1997:DSP,
author = "Wolfgang F{\"o}rner",
title = "{Davydov} Solitons in Proteins",
journal = j-IJQC,
volume = "64",
number = "3",
pages = "351--377",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:29 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42692;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42692&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Ladik:1997:OGF,
author = "Janos Ladik",
title = "Outlines of a General Framework of Cancer Initiation
in the Cell",
journal = j-IJQC,
volume = "64",
number = "3",
pages = "379--385",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:29 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42693;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42693&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Borstnik:1997:CSD,
author = "B. Bor\v{s}tnik and D. Pumpernik and D. Lukman",
title = "Computer Simulation of {DNA} Sequential Correlations",
journal = j-IJQC,
volume = "64",
number = "3",
pages = "387--392",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:29 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Second Triennial Congress of the
International Society for Theoretical Chemical
Physics}. Issue Edited by Se{\'a}n P. McGlynn, Kresimir
Rupnik, Janos Ladik.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42694;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42694&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Christov:1997:TAS,
author = "S. G. Christov",
title = "Two Approaches to Stochastic Rate Theory",
journal = j-IJQC,
volume = "64",
number = "4",
pages = "393--401",
day = "5",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:31 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42696;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42696&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Sarkar:1997:TDO,
author = "Pranab Sarkar and S. P. Bhattacharyya",
title = "Tunneling Dynamics of One- and Two-Dimensional Cubic
Oscillators with Randomly Fluctuating Harmonic Force
Constants: {A} Numerical Experiment",
journal = j-IJQC,
volume = "64",
number = "4",
pages = "403--409",
day = "5",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:31 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42698;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42698&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Lepetit:1997:BOE,
author = "Marie-Bernadette Lepetit and Lilian Lafon and Xavier
Lafage",
title = "Box Orbitals for Extended Systems",
journal = j-IJQC,
volume = "64",
number = "4",
pages = "411--420",
day = "5",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:31 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42699;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42699&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Friis-Jensen:1997:ISC,
author = "Britt Friis-Jensen and Sten Rettrup and C. R. Sarma",
title = "Indexing Scheme for Classes of {${\cal S}_N$};
Partitions of {$N$}",
journal = j-IJQC,
volume = "64",
number = "4",
pages = "421--426",
day = "5",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:31 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42700;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42700&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Proynov:1997:ELF,
author = "E. I. Proynov and S. Sirois and D. R. Salahub",
title = "Extension of the {LAP} Functional to Include Parallel
Spin Correlation",
journal = j-IJQC,
volume = "64",
number = "4",
pages = "427--446",
day = "5",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:31 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42701;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42701&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Ding:1997:HNP,
author = "Fujiang Ding and Liangfu Zhang",
title = "{HNNH$_3$}, {A} New Possible Isomer of {N$_2$H$_4$}:
An Ab Initio Study",
journal = j-IJQC,
volume = "64",
number = "4",
pages = "447--452",
day = "5",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:31 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42702;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42702&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Tanaka:1997:ESC,
author = "Kiyoshi Tanaka and Helge Johansen",
title = "On the electronic structure of
{{Cu(H$_2$O)$_6$}$^{2+}$}",
journal = j-IJQC,
volume = "64",
number = "4",
pages = "453--458",
day = "5",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:31 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42703;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42703&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Cai:1997:SBS,
author = "Shu-Hui Cai and Chun-Wan Liu",
title = "Studies on the Band Structures of Some Low-Temperature
Superconductors",
journal = j-IJQC,
volume = "64",
number = "4",
pages = "459--472",
day = "5",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:31 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42704;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42704&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Starikov:1997:PCC,
author = "E. B. Starikov",
title = "Polyiodide Chains in Crystalline Organic Iodides: Ab
Initio {Hartree--Fock} Crystal Orbital Study",
journal = j-IJQC,
volume = "64",
number = "4",
pages = "473--479",
day = "5",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:31 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42705;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42705&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Gineityte:1997:IEB,
author = "V. Gineityte",
title = "Interpretation of Energy Bands of Polyethylene in
Terms of Effective Interactions Between First- and
Second-Neighboring {CH$_2$} Groups",
journal = j-IJQC,
volume = "64",
number = "4",
pages = "481--494",
day = "5",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:31 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42697;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42697&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Runge:1997:IWP,
author = "K. Runge and J. R. Sabin",
title = "Introduction to the Workshop on Properties of
Molecules in Strong Magnetic Fields",
journal = j-IJQC,
volume = "64",
number = "5",
pages = "495--496",
day = "15",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:34 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Properties of Molecules in
Strong Magnetic Fields}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42707;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42707&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1997:LP,
author = "Anonymous",
title = "List of participants",
journal = j-IJQC,
volume = "64",
number = "5",
pages = "497--499",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:34 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Properties of Molecules in
Strong Magnetic Fields}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42714;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42714&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Schmelcher:1997:MSM,
author = "P. Schmelcher and L. S. Cederbaum",
title = "Molecules in Strong Magnetic Fields: Some Perspectives
and General Aspects",
journal = j-IJQC,
volume = "64",
number = "5",
pages = "501--511",
day = "15",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:34 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Properties of Molecules in
Strong Magnetic Fields}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42715;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42715&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Kravchenko:1997:AGT,
author = "Yu. P. Kravchenko and M. A. Liberman",
title = "Application of {Gaussian}-Type Basis Sets to Ab Initio
Calculations in Strong Magnetic Fields",
journal = j-IJQC,
volume = "64",
number = "5",
pages = "513--522",
day = "15",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:34 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Properties of Molecules in
Strong Magnetic Fields}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42716;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42716&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Jones:1997:MBA,
author = "Matthew D. Jones and Gerardo Ortiz and David M.
Ceperley",
title = "Many-Body Approaches to Atoms and Molecules in
External Magnetic Fields",
journal = j-IJQC,
volume = "64",
number = "5",
pages = "523--552",
day = "15",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:34 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Properties of Molecules in
Strong Magnetic Fields}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42717;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42717&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Schmelcher:1997:ETP,
author = "P. Schmelcher",
title = "Exploring the Topology of Potential Energy Surfaces of
the {H$_2^+$} Ion in the Presence of a Strong Magnetic
Field",
journal = j-IJQC,
volume = "64",
number = "5",
pages = "553--560",
day = "15",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:34 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Properties of Molecules in
Strong Magnetic Fields}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42718;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42718&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Runge:1997:EPH,
author = "Keith Runge and John R. Sabin",
title = "Electronic Properties of {H$_2^+$}, {H$_2$}, and {LiH}
in High Magnetic Fields",
journal = j-IJQC,
volume = "64",
number = "5",
pages = "561--570",
day = "15",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:34 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Properties of Molecules in
Strong Magnetic Fields}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42719;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42719&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Jost:1997:MFC,
author = "Remy Jost",
title = "Magnetic Field Control of Molecular Dissociation
Energies",
journal = j-IJQC,
volume = "64",
number = "5",
pages = "571--580",
day = "15",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:34 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Properties of Molecules in
Strong Magnetic Fields}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42720;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42720&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Kendrick:1997:EPF,
author = "Brian Kendrick",
title = "The Effects of Pseudomagnetic Fields in Molecular
Spectra and Scattering",
journal = j-IJQC,
volume = "64",
number = "5",
pages = "581--597",
day = "15",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:34 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Properties of Molecules in
Strong Magnetic Fields}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42721;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42721&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Parkinson:1997:RFA,
author = "William A. Parkinson and Jens Oddershede",
title = "Response Function Analysis of Magnetic Optical
Rotation",
journal = j-IJQC,
volume = "64",
number = "5",
pages = "599--605",
day = "15",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:34 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Properties of Molecules in
Strong Magnetic Fields}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42708;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42708&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Maverick:1997:CSE,
author = "Andrew W. Maverick and Leslie G. Butler",
title = "Chemical Systems for Exploration of High Magnetic
Field Effects",
journal = j-IJQC,
volume = "64",
number = "5",
pages = "607--611",
day = "15",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:34 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Properties of Molecules in
Strong Magnetic Fields}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42709;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42709&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Bandrauk:1997:CEI,
author = "Andr{\'e} D. Bandrauk and J. Ruel and Tao Zuo and
Hengtai Yu",
title = "Controlling Electrons with Intense Laser and Magnetic
Fields",
journal = j-IJQC,
volume = "64",
number = "5",
pages = "613--617",
day = "15",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:34 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Properties of Molecules in
Strong Magnetic Fields}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42710;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42710&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Solem:1997:EQC,
author = "Johndale C. Solem and Maurice G. Sheppard",
title = "Experimental Quantum Chemistry at Ultrahigh Magnetic
Fields: Some Opportunities",
journal = j-IJQC,
volume = "64",
number = "5",
pages = "619--628",
day = "15",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:34 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Properties of Molecules in
Strong Magnetic Fields}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42711;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42711&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Sullivan:1997:MSV,
author = "N. S. Sullivan",
title = "Molecular Spectroscopy at Very High Magnetic Fields",
journal = j-IJQC,
volume = "64",
number = "5",
pages = "629--633",
day = "15",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:34 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Properties of Molecules in
Strong Magnetic Fields}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42712;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42712&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{King:1997:COD,
author = "James W. King and Stephen P. Molnar",
title = "Correlation of Organic Diamagnetic Susceptibility with
Structure via the Integrated Molecular Transform",
journal = j-IJQC,
volume = "64",
number = "5",
pages = "635--645",
day = "15",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:34 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Properties of Molecules in
Strong Magnetic Fields}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42713;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42713&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Anonymous:1997:VTCd,
author = "Anonymous",
title = "Volume Table of Contents",
journal = j-IJQC,
volume = "64",
number = "6",
pages = "I--??",
day = "20",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Oct 10 17:04:49 MDT 1998",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{LeRouzo:1997:MEC,
author = "H. {Le Rouzo}",
title = "Multipole Expansion of {Cartesian Gaussian} Orbitals
About a New Origin",
journal = j-IJQC,
volume = "64",
number = "6",
pages = "647--653",
day = "20",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:36 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42723;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42723&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Avram:1997:FCF,
author = "N. M. Avram and Gh. E. Dr{\u{a}}g{\u{a}}nescu",
title = "{Franck--Condon} Factors for the {Morse} Potential",
journal = j-IJQC,
volume = "64",
number = "6",
pages = "655--660",
day = "20",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:36 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42726;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42726&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Wang:1997:EDS,
author = "Yi-Xuan Wang and Yu-Xiang Bu and Cong-Hao Deng",
title = "Effect of Different Subsets on Convergence Patterns of
Hyperspherical Harmonic Expansion for the {S} States of
the Helium Atom",
journal = j-IJQC,
volume = "64",
number = "6",
pages = "661--668",
day = "20",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:36 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42727;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42727&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Zimpel:1997:MGS,
author = "Zbigniew Zimpel and Paul G. Mezey",
title = "Molecular Geometry and Symmetry from a Differential
Geometry Viewpoint",
journal = j-IJQC,
volume = "64",
number = "6",
pages = "669--678",
day = "20",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:36 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42728;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42728&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Kruger:1997:ECM,
author = "Thomas Kr{\"u}ger",
title = "{EPR} Correlations in the Molecular Domain",
journal = j-IJQC,
volume = "64",
number = "6",
pages = "679--687",
day = "20",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:36 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42729;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42729&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{AbuEittah:1997:EAS,
author = "R. H. {Abu Eittah} and M. M. Hamed and A. A. Mohamed",
title = "Electronic Absorption Spectra of Some Nicotinamides
and Nicotinic Acids. Molecular Orbital Treatment",
journal = j-IJQC,
volume = "64",
number = "6",
pages = "689--701",
day = "20",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:36 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42730;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42730&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Li:1997:ROC,
author = "Ming Li",
title = "Role of oxygen content in electronic structures of
{Ba$_{0.6}$ K$_{0.4}$ BiO$_{3-\delta}$}",
journal = j-IJQC,
volume = "64",
number = "6",
pages = "703--710",
day = "20",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:36 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42731;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42731&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Huang:1997:TSIa,
author = "Ming-Ju Huang and John D. Watts and Nicholas Bodor",
title = "Theoretical studies of inclusion complexes of
$\beta$-cyclodextrin with methylated benzoic acids",
journal = j-IJQC,
volume = "64",
number = "6",
pages = "711--719",
day = "20",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:36 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42732;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42732&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Wouters:1997:EPF,
author = "Johan Wouters and Fran{\c{c}}ois Durant and
Beno{\^\i}t Champagne and Jean-Marie Andr{\'e}",
title = "Electronic Properties of Flavins: Implications on the
Reactivity and Absorption Properties of Flavoproteins",
journal = j-IJQC,
volume = "64",
number = "6",
pages = "721--733",
day = "20",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:36 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42733;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42733&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Pike:1997:QTR,
author = "E. R. Pike and S. Sarkar and E. Deumens",
title = "The Quantum Theory of Radiation",
journal = j-IJQC,
volume = "64",
number = "6",
pages = "735--735",
day = "20",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:36 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42724;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42724&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Flocke:1997:SGAe,
author = "N. Flocke",
title = "Symmetric group approach to relativistic {CI}. {IV}.
{Representations} of one-electron spin operators and
their products in a symmetric group-adapted basis of
{$N$}-electron spin functions",
journal = j-IJQC,
volume = "64",
number = "6",
pages = "737--737",
day = "20",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:36 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42725;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42725&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
journalabr = "Int J Quant Chem",
}
@Article{Anonymous:1997:VTPc,
author = "Anonymous",
title = "Volume Title Page",
journal = j-IJQC,
volume = "64",
number = "6",
pages = "739--??",
day = "20",
month = sep,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Oct 10 17:04:49 MDT 1998",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Graves:1997:GDE,
author = "John L. Graves",
title = "Generalized Double Exponential Potential Functions for
Diatomic Molecules",
journal = j-IJQC,
volume = "65",
number = "1",
pages = "1--8",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:38 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42735;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42735&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Suba:1997:SSB,
author = "S. S\v{}uba and M. A. Whitehead",
title = "Spontaneous Symmetry Breaking and Electron
Correlation",
journal = j-IJQC,
volume = "65",
number = "1",
pages = "9--17",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:38 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42737;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42737&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Huang:1997:MES,
author = "Siqun Huang and Jonathan E. Kenny",
title = "A method to evaluate the {Sachs} formula",
journal = j-IJQC,
volume = "65",
number = "1",
pages = "19--36",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:38 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42738;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42738&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Chibotaru:1997:VIM,
author = "L. F. Chibotaru and F. Cimpoesu",
title = "Vibronic Instability of Molecular Configurations in,
the {Hartree--Fock--Roothaan} Approximation",
journal = j-IJQC,
volume = "65",
number = "1",
pages = "37--48",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:38 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42739;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42739&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Tulub:1997:QFL,
author = "Alexander A. Tulub and Evgenii K. Skaletskii and
Vassilii E. Stefanov",
title = "Quantum Field Lability Indexes of Ligands for
Predicting Some Properties of Platinum Complexes",
journal = j-IJQC,
volume = "65",
number = "1",
pages = "49--57",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:38 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42740;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42740&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Buendia:1997:HFW,
author = "E. Buend{\'\i}a and F. J. G{\'a}lvez and A. Sarsa",
title = "{Hartree--Fock} wave functions with a modified {GTO}
basis for atoms",
journal = j-IJQC,
volume = "65",
number = "1",
pages = "59--64",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:38 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42741;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42741&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Sosa:1997:ESP,
author = "Ramon M. Sosa and Patricia Gardiol",
title = "Electronic Structure and Properties of the Carbonyls
{TiCO}, and {Ti$_7$CO} and Carbenes {TiCH$_2$} and
{Ti$_7$CH$_2$} by Density Functional Methods",
journal = j-IJQC,
volume = "65",
number = "1",
pages = "65--73",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:38 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42742;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42742&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Jursic:1997:AEA,
author = "Branko S. Jursic",
title = "An Accurate Evaluation of Activation Barriers for
Hydrogen Abstraction Reactions with {Becke}'s 88
Density Functional Theory and High-Level {G1} and {G2}
Ab Initio Methods",
journal = j-IJQC,
volume = "65",
number = "1",
pages = "75--82",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:38 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42743;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42743&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Evangelisti:1997:ISC,
author = "Stefano Evangelisti",
title = "An ab initio study of the {N$_8$ C$_{12}$}
heterofullerene",
journal = j-IJQC,
volume = "65",
number = "1",
pages = "83--88",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:38 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42744;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42744&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Yang:1997:SCR,
author = "Benhui Yang and Shenglu Lin and Shiliang Ding",
title = "Semiclassical Calculation of Rotational Excitation of
Atom-Symmetric Top Scattering",
journal = j-IJQC,
volume = "65",
number = "1",
pages = "89--96",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:38 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42736;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42736&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Valdemoro:1997:RSWa,
author = "C. Valdemoro and M. P. De Lara-Castells and R.
Bochicchio and E. Perez-Romero",
title = "Relevant Space Within the Spin-Adapted Reduced
{Hamiltonian} Theory. {I}. Study of the {BH} Molecule",
journal = j-IJQC,
volume = "65",
number = "2",
pages = "97--105",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:41 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42746;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42746&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Valdemoro:1997:RSWb,
author = "C. Valdemoro and M. P. De Lara-Castells and R.
Bochicchio and E. P{\'e}rez-Romero",
title = "Relevant space within the spin-adapted reduced
{Hamiltonian} theory. {II}. {Study} of the $\pi$ cloud
in benzene and naphthalene",
journal = j-IJQC,
volume = "65",
number = "2",
pages = "107--119",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:41 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42748;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42748&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Paniagua:1997:LCE,
author = "Juan Carlos Paniagua and Albert Moyano",
title = "Localization-Consistent Electronic Energy Partitions",
journal = j-IJQC,
volume = "65",
number = "2",
pages = "121--126",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:41 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42749;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42749&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Samvelyan:1997:RDE,
author = "S. Kh. Samvelyan",
title = "{$N$}-Representability of Diagonal Elements of
Second-Order Reduced Density Matrices",
journal = j-IJQC,
volume = "65",
number = "2",
pages = "127--142",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:41 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42750;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42750&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Dacosta:1997:HTO,
author = "Herbert F. M. Dacosta and Milan Trsic and Alfredo M.
Simas",
title = "Hydrogen-Type Orbitals in Terms of {Gaussian}
Functions",
journal = j-IJQC,
volume = "65",
number = "2",
pages = "143--150",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:41 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42751;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42751&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Sundholm:1997:RMH,
author = "Dage Sundholm and Edgar Ottschofski",
title = "Relativistic multiconfiguration {Hartree--Fock} by
means of direct perturbation theory",
journal = j-IJQC,
volume = "65",
number = "2",
pages = "151--158",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:41 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42752;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42752&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Guan:1997:LAA,
author = "Daren Guan and Shiliang Ding and Benhui Yang and
Xizhang Yi",
title = "{Lie} algebraic approach to the collinear collisions
between two diatomic molecules",
journal = j-IJQC,
volume = "65",
number = "2",
pages = "159--165",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:41 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42753;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42753&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Serrano-Andres:1997:SEE,
author = "Luis Serrano-Andr{\'e}s and Markus P. F{\"u}lscher and
Gunnar Karlstr{\"o}m",
title = "Solvent Effects on Electronic Spectra Studied by
Multiconfigurational Perturbation Theory",
journal = j-IJQC,
volume = "65",
number = "2",
pages = "167--181",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:41 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42754;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42754&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Sizova:1997:ESS,
author = "O. V. Sizova and V. I. Baranovski and N. V. Ivanova
and A. I. Panin",
title = "Electronic Structure and Spectra of Ruthenium
Binuclear Complexes: Localized Versus Delocalized
Model",
journal = j-IJQC,
volume = "65",
number = "2",
pages = "183--193",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:41 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42755;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42755&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ivanov:1997:ESM,
author = "Stanislav Ivanov",
title = "Erratum: {Simple} modification of the
{Lee--Yang--Parr} correlation functional to satisfy
exact nonuniform scaling requirements",
journal = j-IJQC,
volume = "65",
number = "2",
pages = "195--195",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:41 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "See \cite{Ivanov:1996:SMLb}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42747;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42747&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Datta:1997:MCC,
author = "Kakali Datta and Asok K. Mukherjee",
title = "Method for construction of characteristic polynomials
via graph linearization",
journal = j-IJQC,
volume = "65",
number = "3",
pages = "199--204",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42757;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42757&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Morales:1997:GBR,
author = "J. Morales and J. J. Pe{\~n}a and P. Portillo and G.
Ovando and V. Gaftoi",
title = "Generalization of the {Blanchard}'s rule",
journal = j-IJQC,
volume = "65",
number = "3",
pages = "205--211",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42758;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42758&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Saenz:1997:MCS,
author = "Alejandro Saenz and Tanja Asthalter and Wolf Weyrich",
title = "Methods for the calculation of spherically averaged
{Compton} profiles with {GTOs}",
journal = j-IJQC,
volume = "65",
number = "3",
pages = "213--223",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42759;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42759&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Barysz:1997:NTO,
author = "Maria Barysz and Andrzej J. Sadlej and Jaap G.
Snijders",
title = "Nonsingular two\slash one-component relativistic
{Hamiltonians} accurate through arbitrary high order in
$\alpha^2$",
journal = j-IJQC,
volume = "65",
number = "3",
pages = "225--239",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42760;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42760&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Pavlov:1997:DFTa,
author = "R. L. Pavlov and J. Maruani and Ya. I. Delchev and R.
McWeeny",
title = "Density functional theory for open-shell systems using
a local-scaling transformation scheme. {I}.
{Single}-density energy functional",
journal = j-IJQC,
volume = "65",
number = "3",
pages = "241--256",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "See erratum \cite{Pavlov:1998:EDFa}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42761;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42761&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Pavlov:1997:DFTb,
author = "R. L. Pavlov and F. E. Zakhariev and A. I. Delchev and
J. Maruani",
title = "Density functional theory for open-shell systems using
a local-scaling transformation scheme. {II}.
{Euler--Lagrange} equation for $f(r)$ versus that for
$\rho(r)$",
journal = j-IJQC,
volume = "65",
number = "3",
pages = "257--268",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "See erratum \cite{Pavlov:1998:EDFb}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42762;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42762&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ley-Koo:1997:HAS,
author = "E. Ley-Koo and K. P. Volke-Sep{\'u}lveda",
title = "The helium atom in a semi-infinite space limited by a
paraboloidal boundary",
journal = j-IJQC,
volume = "65",
number = "3",
pages = "269--275",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42763;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42763&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ramos:1997:PAI,
author = "J. G. Ramos and A. R. Vasconcellos and Roberto Luzzi",
title = "Physicochemical aspects of an industrial process",
journal = j-IJQC,
volume = "65",
number = "3",
pages = "277--285",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42764;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42764&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Matsen:1997:FTMa,
author = "F. A. Matsen and L. L. Campbell",
title = "The Freeon Theory of Magnetism. {I}. The {Heisenberg}
Interaction",
journal = j-IJQC,
volume = "65",
number = "4",
pages = "287--297",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42766;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42766&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Matsen:1997:FTMb,
author = "F. A. Matsen and L. L. Campbell",
title = "The Freeon Theory of Magnetism. {II}. Molecular
Magnets",
journal = j-IJQC,
volume = "65",
number = "4",
pages = "299--304",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42767;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42767&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Palting:1997:HOT,
author = "Pancracio Palting",
title = "Harmonic Oscillator Tensors. {IV}. {A} Tensorial
Approach to Internal Rotations in Molecules",
journal = j-IJQC,
volume = "65",
number = "4",
pages = "305--315",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42768;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42768&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Roy:1997:DFC,
author = "Amlan K. Roy and Ranbir Singh and B. M. Deb",
title = "Density Functional Calculations on Triply Excited
States of Lithium Isoelectronic Sequence",
journal = j-IJQC,
volume = "65",
number = "4",
pages = "317--332",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42769;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42769&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Bohm:1997:BFE,
author = "Michael C. B{\"o}hm and Joachim Schulte and Johannes
Sch{\"u}tt and Thomas Schedel-Niedrig and Harald Werner
and Robert Schl{\"o}gl",
title = "{Ba$_x$C$_{60}$} fullerides: $\pi$ {Electronic}
peculiarities of the {C$_{60}$} molecule and their
consequences for the solid state",
journal = j-IJQC,
volume = "65",
number = "4",
pages = "333--373",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42770;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42770&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Matsson:1997:BRR,
author = "Olle Matsson",
title = "Book Review: {{\em The reaction path in chemistry:
current approaches and perspectives}}, {D. Heidrich,
Editor}",
journal = j-IJQC,
volume = "65",
number = "4",
pages = "375--375",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42771;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42771&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ohrn:1997:Ia,
author = "N. Y. {\"O}hrn and J. R. Sabin and M. C. Zerner",
title = "Introduction",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "377--377",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42773;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42773&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Emch:1997:FQM,
author = "G{\'e}rard G. Emch",
title = "Foundations of Quantum Mechanics: Building on {von
Neumann}'s Heritage",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "379--387",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42784;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42784&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Faris:1997:DQP,
author = "William G. Faris",
title = "Does Quantum Probability Predict Frequency?",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "389--398",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42795;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42795&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Kellman:1997:NSC,
author = "Michael E. Kellman",
title = "Nonrigid Systems in Chemistry: {A} Unified View",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "399--409",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42806;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42806&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{March:1997:KEF,
author = "Norman H. March and Sabre Kais",
title = "Kinetic Energy Functional Derivative for the
{Thomas--Fermi} Atom in {$D$} Dimensions",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "411--413",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42817;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42817&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Trinajstic:1997:CMD,
author = "N. Trinajsti{\'c} and S. Nikoli{\'c} and Z.
Mihali{\'c}",
title = "On Computing the Molecular Detour Matrix",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "415--419",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42828;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42828&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Klein:1997:MBV,
author = "D. J. Klein and H. Zhu and R. Valenti and M. A.
Garcia-Bach",
title = "Many-Body Valence-Bond Theory",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "421--438",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42832;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42832&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Cooper:1997:FVO,
author = "David L. Cooper and Thorstein Thorsteinsson and Joseph
Gerratt",
title = "Fully Variational Optimization of Modern {VB} Wave
Functions Using the {CASVB} Strategy",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "439--451",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42833;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42833&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Sanchez-Portal:1997:DFM,
author = "Daniel S{\'a}nchez-Portal and Pablo Ordej{\'o}n and
Emilio Artacho and Jos{\'e} M. Soler",
title = "Density-Functional Method for Very Large Systems with
{LCAO} Basis Sets",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "453--461",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42834;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42834&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Dolgounitcheva:1997:CEP,
author = "O. Dolgounitcheva and V. G. Zakrzewski and J. V.
Ortiz",
title = "Comparison of Electron Propagator Methods for
Calculating Electron Detachment Energies of Anions",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "463--469",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42774;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42774&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Kawabe:1997:FTI,
author = "H. Kawabe and K. Kodama and H. Nagao and K.
Nishikawa",
title = "Finite Temperature Ab Initio Calculation by Path
Integral {Monte Carlo} Method",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "471--476",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42775;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42775&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Beck:1997:RSM,
author = "Thomas L. Beck",
title = "Real-Space Multigrid Solution of Electrostatics
Problems and the {Kohn--Sham} Equations",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "477--486",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42776;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42776&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Lefebvre:1997:FQE,
author = "R. Lefebvre and A. Palma",
title = "Floquet Quasi-Energies and Eigenfunctions of the
Parabolic Barrier",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "487--497",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42777;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42777&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Tkacz-Smiech:1997:MPD,
author = "Katarzyna Tkacz-\'Smiech and W. S. Ptak",
title = "Maximum Principles in {DFT} from Reciprocal
Variational Problem",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "499--501",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42778;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42778&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Chelkowski:1997:ENC,
author = "S. Chelkowski and C. Foisy and A. D. Bandrauk",
title = "Exact Numerical Calculations of
Dissociative-ionization of Molecular ions in Intense
Laser Fields: Non-{Born--Oppenheimer} Dynamics",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "503--512",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42779;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42779&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Dai:1997:QFC,
author = "Song-Tao Dai and Peter Winkler",
title = "A Quadrature Formula for Correlation Integrals",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "513--518",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42780;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42780&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Arteca:1997:STP,
author = "Gustavo A. Arteca",
title = "Shape Transitions in Polymer Mushrooms Compressed by a
Finite-Size Obstacle",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "519--530",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42781;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42781&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Bernholc:1997:RSM,
author = "J. Bernholc and E. L. Briggs and D. J. Sullivan and C.
J. Brabec and M. Buongiorno Nardelli and K. Rapcewicz
and C. Roland and M. Wensell",
title = "Real-Space Multigrid Methods for Large-Scale
Electronic Structure Problems",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "531--543",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42782;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42782&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ishikawa:1997:RMB,
author = "Yasuyuki Ishikawa and Konrad Koc",
title = "Relativistic Many-Body Perturbation Calculations for
{Zn} and {Cd} and Their Singly Ionized Ions",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "545--554",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42783;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42783&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Beck:1997:HSC,
author = "Donald R. Beck",
title = "Hyperfine Structure Constants of $(d + s)^3$ States in
{La I} and the {Zr II} and {Hf II} Isoelectronic
Sequences",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "555--564",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42785;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42785&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Boettger:1997:SRL,
author = "Jonathan C. Boettger",
title = "Scalar-relativistic {LCGTO DFT} calculations for atoms
using the {Douglas--Kroll} transformation",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "565--574",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42786;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42786&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Kotochigova:1997:CRC,
author = "S. Kotochigova and H. Levine and I. Tupitsyn",
title = "Correlated Relativistic Calculation of the Giant
Resonance in the {Gd$_3^+$} Absorption Spectrum",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "575--584",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42787;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42787&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Paikeday:1997:EPA,
author = "Joseph M. Paikeday",
title = "Effective Potential for $e$-Atom Scattering by {DCS}
Minimization at Intermediate Energies",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "585--590",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42788;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42788&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Weatherford:1997:LEE,
author = "Charles A. Weatherford and Mei Dong and Bidhan C.
Saha",
title = "Low-energy electron scattering from a model {H$_2$}
potential using finite elements in two dimensions",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "591--600",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42789;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42789&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Levitina:1997:SPS,
author = "T. Levitina and E. J. Br{\"a}ndas",
title = "Scattering by a Potential Separable in Ellipsoidal
Coordinates",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "601--608",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42790;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42790&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Cioslowski:1997:TIS,
author = "Jerzy Cioslowski and Xiang Gao",
title = "Transannular interactions in {S$_8$}$^{2+}$ and
{Se$_8$}$^{2+}$: {Reality} or artifact?",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "609--616",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42791;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42791&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Atabek:1997:LIA,
author = "O. Atabek",
title = "Laser-induced alignment dynamics in multiphoton
dissociation of {H$_2^+$}",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "617--624",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42792;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42792&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Sambrano:1997:ISO,
author = "J. R. Sambrano and J. Andr{\'e}s and A. Beltr{\'a}n
and F. R. Sensato and E. R. Leite and F. M. L. G.
Stamato and E. Longo",
title = "An ab initio study of oxygen vacancies and doping
process of {Nb} and {Cr} atoms on {TiO$_2$} (110)
surface models",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "625--631",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42793;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42793&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Fink:1997:ICM,
author = "K. Fink and C. Wang and V. Staemmler",
title = "Ab initio calculations of the magnetic exchange
coupling in sulfur-bridged binuclear {Ni(II)}
complexes",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "633--641",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42794;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42794&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Rocha:1997:RPI,
author = "William R. Rocha and Wagner B. De Almeida",
title = "Reaction path for the insertion reaction of {SnCl$_2$}
into the {Pt\singlebond{}Cl} bond: {An} ab initio
study",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "643--650",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42796;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42796&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Das:1997:SGE,
author = "G. P. Das and D. S. Dudis",
title = "Study of Ground and Excited States of Doped
Polyacetylene",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "651--654",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42797;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42797&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Hernandez-Rojas:1997:FHR,
author = "J. Hern{\'a}ndez-Rojas and A. Ruiz and J. Bret{\'o}n
and J. M. Gomez Llorente",
title = "Free and hindered rotations in endohedral {C$_{60}$}
fullerene complexes",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "655--663",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42798;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42798&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Kobayashi:1997:CFD,
author = "Takao Kobayashi and Kotoku Sasagane and Kizashi
Yamaguchi",
title = "Calculation of Frequency-Dependent Polarizabilities
for Open-Shell Systems at the Second-Order
{M{\o}ller--Plesset} Perturbation Theory Level Based on
the Quasi-Energy Derivative Method",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "665--677",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42799;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42799&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Jacquemin:1997:ECE,
author = "Denis Jacquemin and Beno{\^\i}t Champagne and
Jean-Marie Andr{\'e}",
title = "Electron Correlation Effects upon the Static
(Hyper)polarizabilities of Push-Pull Conjugated
Polyenes and Polyynes",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "679--688",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42800;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42800&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Champagne:1997:VVE,
author = "Beno{\^\i}t Champagne",
title = "Vibrational Versus Electronic First
Hyperpolarizabilities of Mono- and Disubstituted
Benzenes: An Ab Initio Coupled {Hartree--Fock}
Investigation",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "689--696",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42801;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42801&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Nagao:1997:TSS,
author = "Hidemi Nagao and Koji Ohta and Masayoshi Nakano and
Kizashi Yamaguchi",
title = "Theoretical Studies of Second Hyperpolarizability by
Path Integral Method: Effects of External Magnetic
Field",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "697--707",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42802;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42802&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Cordeiro:1997:CNH,
author = "Jo{\~a}o M. Marques Cordeiro",
title = "{C}\singlebond{}{H}\dottedbond{}{O} and
{N\singlebond{}H\dottedbond{}O} hydrogen bonds in
liquid amides investigated by {Monte Carlo}
simulation",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "709--717",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42803;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42803&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Oliva:1997:UMA,
author = "M{\'o}nica Oliva and Vicent S. Safont and Juan
Andr{\'e}s and Raquel Castillo and Vicente Moliner",
title = "Understanding the Mechanism of the Addition of
Organomagnesium Reagents to {2-Hydroxypropanal}: An Ab
Initio Molecular Orbital Analysis",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "719--728",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42804;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42804&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Castillo:1997:SSR,
author = "R. Castillo and J. Andr{\'e}s and V. Moliner and V. S.
Safont and M. Oliva",
title = "A semiempirical study on the ring-opening process for
the cyclopropanone, 2,2-dimethylcyclopropanone, {\em
trans\/}-2,3-di-{\em tert\/}-butylcyclopropanone, and
spiro(bicyclo[2.2.1]heptane-2.1$\prime$-cyclopropan)-2$\prime$-one
systems in solution",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "729--738",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42805;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42805&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Sakai:1997:ISZ,
author = "Shogo Sakai",
title = "Ab Initio Studies on the {Ziegler-Natta}
Polymerization Mechanisms of Ethylene and Propylene.
Role of Cocatalysis and Stereoregulation",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "739--747",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42807;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42807&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Seminario:1997:SSLb,
author = "Jorge M. Seminario and James M. Tour",
title = "Systematic study of the lowest energy states of
{Au$_n$} $(n = 1{\rm --}4)$ using {DFT}",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "749--758",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42808;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42808&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Gorb:1997:IPG,
author = "Leonid Gorb and Jerzy Leszczynski",
title = "Ab Initio Prediction of the Geometry and {IR}
Frequencies of the Mono- and Dihydrated Complexes of
the Oxo-amino-Tautomers of Guanine",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "759--765",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42809;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42809&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Mora:1997:MOS,
author = "M. A. Mora",
title = "A Molecular Orbital Study of the Dimerization Process
of Vinyl Monomers",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "767--785",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42810;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42810&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Yoshioka:1997:CMC,
author = "Yasunori Yoshioka and Tsunaki Tsunesada and Kizashi
Yamaguchi and Isao Saito",
title = "{CASSCF}, {MP2}, and {CASMP2} Studies on Addition
Reaction of Singlet Molecular Oxygen to Ethylene
Molecule",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "787--801",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42811;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42811&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Bischof:1997:QCS,
author = "Gerhard Bischof and Alexander Silbernagl and Kersti
Hermansson and Michael Probst",
title = "Quantum Chemical Study of the Molecular Dynamics of
Hydrated Li+ and {Be$_2^+$} Cations",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "803--816",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42812;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42812&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Kovacs:1997:VAT,
author = "Attila Kov{\'a}cs and G{\'a}bor I. Csonka",
title = "Vibrational analysis of {TeCl$_4$}. {II}. {A
Hartree--Fock}, {MP2}, and density functional study",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "817--826",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42813;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42813&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Head:1997:CVF,
author = "John D. Head",
title = "Computation of Vibrational Frequencies for Adsorbates
on Surfaces",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "827--838",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42814;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42814&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Nakatsuji:1997:TSC,
author = "Hiroshi Nakatsuji and Zhen-Ming Hu and Hiromi Nakai",
title = "Theoretical Studies on the Catalytic Activity of {Ag}
Surface for the Oxidation of Olefins",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "839--855",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42815;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42815&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Hagmann:1997:SLA,
author = "Mark J. Hagmann",
title = "Simulations of Laser-Assisted Field Emission Within
the Local Density Approximation of {Kohn--Sham}
Density-Functional Theory",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "857--865",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42816;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42816&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Valdes:1997:TCC,
author = "Esther Agacino Valdes and Pablo De La Mora and Miguel
Castro and Jaime Keller",
title = "Theoretical Calculation of Carbon Clusters",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "867--875",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42818;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42818&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Stavrev:1997:SAH,
author = "Krassimir K. Stavrev and Michael C. Zerner",
title = "Spin-averaged {Hartree--Fock} procedure for
spectroscopic calculations: {The} absorption spectrum
of {Mn$^2$}$^+$ in {ZnS} crystals",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "877--884",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42819;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42819&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Coutinho:1997:CAS,
author = "Kaline Coutinho and Sylvio Canuto and M. C. Zerner",
title = "Calculation of the Absorption Spectrum of Benzene in
Condensed Phase. {A} Study of the Solvent Effects",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "885--891",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42820;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42820&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Solomatin:1997:SCK,
author = "Alexander Solomatin and Viraht Sahni",
title = "Structure of the Correlation-Kinetic Component of the
{Kohn--Sham} Exchange Potential in Atoms and at Metal
Surfaces",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "893--906",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42821;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42821&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{March:1997:FBA,
author = "N. H. March",
title = "Forces Between Atoms and Atomic Planes in Condensed
Metallic Phases and in Semiconducting Silicon",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "907--917",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42822;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42822&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Sosa:1997:TSE,
author = "Ram{\'o}n M. Sosa and Patricia Gardiol and Gerardo
Beltrame",
title = "A Theoretical Study of the Electronic Structure of
Transition-Element Carbides {MnC} ({M} = {Fe}, {Ni},
{Cu}, $n = 1, 5$; and {M} = {Ti}, $n = 1, 7$) and Their
Interactions with an {O} Atom by {DFT} Methods",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "919--928",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42823;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42823&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Dufty:1997:DMM,
author = "James W. Dufty and Chang Sub Kim and Michael Bonitz
and Rolf Binder",
title = "Density Matrix Methods for Semiconductor {Coulomb}
Dynamics",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "929--940",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42824;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42824&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Mota:1997:ESP,
author = "R. Mota and P. Piquini and T. M. Schmidt and A.
Fazzio",
title = "Electronic and Structural Properties of Defects in
{c-BN}",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "941--946",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42825;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42825&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Nagao:1997:PCS,
author = "Hidemi Nagao and Masaki Mitani and Masamichi Nishino
and Yasunori Yoshioka and Kizashi Yamaguchi",
title = "Possibilities of Charge- and\slash or Spin-Mediated
Superconductors and Photo-induced Superconductors in
the Intermediate Region of Metal-insulator
Transitions",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "947--964",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42826;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42826&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Dzegilenko:1997:TNA,
author = "Fedor N. Dzegilenko and Jianxin Qi and Joel M.
Bowman",
title = "Two Novel Applications of Shepard-Type Interpolation
for Polyatomic Systems: Reduced Dimensionality {HOCO}
and Full Dimensionality {Ar-HCO}",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "965--973",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42827;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42827&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Yudanov:1997:DFC,
author = "Ilya V. Yudanov and Vladimir A. Nasluzov and
Konstantin M. Neyman and Notker R{\"o}sch",
title = "Density functional cluster description of ionic
materials: {Improved} boundary conditions for {MgO}
clusters with the help of cation model potentials",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "975--986",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42829;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42829&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Benson:1997:LTM,
author = "Michael T. Benson and Thomas R. Cundari",
title = "Late Transition-Metal Multiple Bonding: Platinum
Phosphinidenes and Ruthenium Alkylidenes",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "987--996",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42830;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42830&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Porter:1997:BBS,
author = "L. E. Porter",
title = "{Bethe--Bloch} stopping power parameters for
polystyrene, kapton, and mylar",
journal = j-IJQC,
volume = "65",
number = "5",
pages = "997--1003",
day = "5",
month = dec,
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on Atomic, Molecular, and Condensed Matter
Theory and Computational Methods}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42831;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42831&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1997:PS,
author = "Anonymous",
title = "Published Symposia",
journal = j-IJQC,
volume = "65",
number = "6",
pages = "XIII--??",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Oct 10 17:04:49 MDT 1998",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1997:VTCe,
author = "Anonymous",
title = "Volume Table of Contents",
journal = j-IJQC,
volume = "65",
number = "6",
pages = "I--??",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Oct 10 17:04:49 MDT 1998",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ohrn:1997:Ib,
author = "N. Y. {\"O}hrn and J. R. Sabin and M. C. Zerner",
title = "Introduction",
journal = j-IJQC,
volume = "65",
number = "6",
pages = "1031--1031",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:51 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on the Application of Fundamental Theory to
Problems of Biology and Pharmocolgy}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42836;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42836&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ramek:1997:IMM,
author = "Michael Ramek and Anne-Marie Kelterer and Sonja
Nikoli{\'c}",
title = "Ab Initio and Molecular Mechanics Conformational
Analysis of Neutral {L}-Proline",
journal = j-IJQC,
volume = "65",
number = "6",
pages = "1033--1045",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:51 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on the Application of Fundamental Theory to
Problems of Biology and Pharmocolgy}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42840;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42840&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Molnar:1997:CUS,
author = "Stephen P. Molnar and James W. King",
title = "Correlation of Ultraviolet Spectra with Structure via
the Integrated Molecular and Electronic Transforms",
journal = j-IJQC,
volume = "65",
number = "6",
pages = "1047--1056",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:51 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on the Application of Fundamental Theory to
Problems of Biology and Pharmocolgy}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42841;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42841&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Pop:1997:DDH,
author = "Emil Pop and Marcus E. Brewster",
title = "Dimerization of Dexanabinol by Hydrogen Bonding
Accounts for Its Hydrophobic Character",
journal = j-IJQC,
volume = "65",
number = "6",
pages = "1057--1064",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:51 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on the Application of Fundamental Theory to
Problems of Biology and Pharmocolgy}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42842;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42842&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Randic:1997:CMS,
author = "Milan Randi{\'c} and Goran Krilov",
title = "On Characterization of Molecular Surfaces",
journal = j-IJQC,
volume = "65",
number = "6",
pages = "1065--1076",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:51 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on the Application of Fundamental Theory to
Problems of Biology and Pharmocolgy}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42843;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42843&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Berces:1997:DFC,
author = "Attila B{\'e}rces",
title = "Density Functional Calculations of Dioxygen Binding in
Mono- and Dinuclear Copper Complexes",
journal = j-IJQC,
volume = "65",
number = "6",
pages = "1077--1086",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:51 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on the Application of Fundamental Theory to
Problems of Biology and Pharmocolgy}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42844;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42844&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Lamm:1997:LDC,
author = "Gene Lamm and George R. Pack",
title = "Local Dielectric Constants and {Poisson--Boltzmann}
Calculations of {DNA} Counterion Distributions",
journal = j-IJQC,
volume = "65",
number = "6",
pages = "1087--1093",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:51 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on the Application of Fundamental Theory to
Problems of Biology and Pharmocolgy}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42845;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42845&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Fetzer:1997:VIP,
author = "Sharon M. Fetzer and Pierre R. Lebreton and
Marie-Madelaine Rohmer and Alain Veillard",
title = "Valence Ionization Potentials of Anionic Phosphate
Esters: An Ab Initio Quantum Mechanical Study",
journal = j-IJQC,
volume = "65",
number = "6",
pages = "1095--1106",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:51 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on the Application of Fundamental Theory to
Problems of Biology and Pharmocolgy}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42846;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42846&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Tasso:1997:PPV,
author = "Silvina Tasso and Luis Bruno-Blanch and Guillermina L.
Esti{\'u}",
title = "Pharmacophoric Pattern in Valpromide Derivatives",
journal = j-IJQC,
volume = "65",
number = "6",
pages = "1107--1114",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:51 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on the Application of Fundamental Theory to
Problems of Biology and Pharmocolgy}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42847;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42847&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Jacchieri:1997:CAP,
author = "Saul G. Jacchieri",
title = "Conformational Analysis of Polypeptide Chains with the
Aid of Density of States Calculations",
journal = j-IJQC,
volume = "65",
number = "6",
pages = "1115--1124",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:51 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "See erratum \cite{Jacchieri:1998:ECA}. Special Issue:
{\em Proceedings of the International Symposium on the
Application of Fundamental Theory to Problems of
Biology and Pharmocolgy}. Issue Edited by Per-Olov
L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin, Michael C.
Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42837;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42837&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Barreiro:1997:SSL,
author = "Gabriela Barreiro and Ricardo Bicca De Alencastro and
Joaquim Delphino Da Motta Neto",
title = "A Semiempirical Study on Leupeptin: An Inhibitor of
Cysteine Proteases",
journal = j-IJQC,
volume = "65",
number = "6",
pages = "1125--1134",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:51 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on the Application of Fundamental Theory to
Problems of Biology and Pharmocolgy}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42838;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42838&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Huang:1997:TSIb,
author = "Ming-Ju Huang and John D. Watts and Nicholas Bodor",
title = "Theoretical studies of inclusion complexes of
$\alpha$- and $\beta$-cyclodextrin with benzoic acid
and phenol",
journal = j-IJQC,
volume = "65",
number = "6",
pages = "1135--1152",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:51 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Proceedings of the International
Symposium on the Application of Fundamental Theory to
Problems of Biology and Pharmocolgy}. Issue Edited by
Per-Olov L{\"o}wdin, Yngve {\"O}hrn, John R. Sabin,
Michael C. Zerner.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=42839;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=42839&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1997:VTPd,
author = "Anonymous",
title = "Volume Title Page",
journal = j-IJQC,
volume = "65",
number = "6",
pages = "1179--??",
month = "????",
year = "1997",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Oct 10 17:04:49 MDT 1998",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Cao:1998:CAS,
author = "Zexing Cao and Wei Wu and Qianer Zhang",
title = "Construction and Applications of Symmetrized Valence
Bond Wave Functions",
journal = j-IJQC,
volume = "66",
number = "1",
pages = "1--7",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:53 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29832;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29832&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Andres:1998:CTS,
author = "J. Andres and L. R. Domingo and M. T. Picher and V. S.
Safont",
title = "Comparative Theoretical Study of Transition
Structures, Barrier Heights, and Reaction Energies for
the Intramolecular Tautomerization in
Acetaldehyde\slash Vinyl Alcohol and Acetaldimine\slash
Vinylamine Systems",
journal = j-IJQC,
volume = "66",
number = "1",
pages = "9--24",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:53 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29835;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29835&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Hilger:1998:ULB,
author = "Ralf Hilger and Hans-Peter Merckens and Arne
L{\"u}chow and Heinz Kleindienst",
title = "Upper- and Lower-Bound {Hylleraas-CI} Calculations for
the Nonrelativistic ${P}^o$ States of the {$^4$He}
Isotope",
journal = j-IJQC,
volume = "66",
number = "1",
pages = "25--30",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:53 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29836;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29836&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ferraro:1998:CMP,
author = "M. B. Ferraro and M. C. Caputo and M. P. B{\'e}ccar
Varela and P. Lazzeretti",
title = "Calculation of Magnetic Properties of {HF}, {H$_2$O},
{NH$_3$}, and {CH$_4$} Molecules Using a Longitudinal
Gauge for the Vector Potential",
journal = j-IJQC,
volume = "66",
number = "1",
pages = "31--45",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:53 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29837;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29837&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Starikov:1998:CTD,
author = "E. B. Starikov",
title = "A comparative three-dimensional {Hartree--Fock}
crystal orbital study of double-stack organic
charge-transfer (semi)conductors: {TTF-TCNQ},
{TTF-DCNQI}, and {TTF-2,5-Me$_2$-DCNQI}",
journal = j-IJQC,
volume = "66",
number = "1",
pages = "47--68",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:53 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29838;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29838&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Starikov:1998:IHF,
author = "E. B. Starikov",
title = "Ab Initio {Hartree--Fock} Crystal Orbital Studies on
Charge-Transfer Complexes: Different Crystal
Modifications of the Same Compounds",
journal = j-IJQC,
volume = "66",
number = "1",
pages = "69--89",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:53 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29839;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29839&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Kim:1998:KUH,
author = "Yong Suk Kim and Sang Yeon Lee and Won Seok Oh and Bo
Hyun Park and Young Kyu Han and Su Jin Park and Yoon
Sup Lee",
title = "Kramers' unrestricted {Hartree--Fock} and second-order
{M{\o}ller--Plesset} perturbation methods using
relativistic effective core potentials with spin-orbit
operators: {Test} calculations for {HI} and {CH$_3$
I}",
journal = j-IJQC,
volume = "66",
number = "1",
pages = "91--98",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:53 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29840;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29840&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Mezey:1998:PSF,
author = "Paul G. Mezey and Kenichi Fukui and Shigeru Arimoto
and Keith Taylor",
title = "Polyhedral Shapes of Functional Group Distributions in
Biomolecules and Related Similarity Measures",
journal = j-IJQC,
volume = "66",
number = "1",
pages = "99--105",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:53 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29841;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29841&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Gregory:1998:BRC,
author = "Frederick Gregory",
title = "Book Review: {{\em The conscious mind: {In} search of
a fundamental theory}}, by {David J. Chalmers}",
journal = j-IJQC,
volume = "66",
number = "1",
pages = "107--108",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:53 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29842;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29842&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Brandas:1998:BRP,
author = "Erkki J. Br{\"a}ndas",
title = "Book Review: {{\em The physics of atoms and quanta:
{Introduction} to experiments and theory; {Molecular}
physics and elements of quantum chemistry:
{Introduction} to experiments and theory}}, by {H.
Haken} and {H. C. Wolf}",
journal = j-IJQC,
volume = "66",
number = "1",
pages = "109--109",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:53 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29833;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29833&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Kendrick:1998:EPF,
author = "Brian Kendrick",
title = "The Effects of Pseudomagnetic Fields in Molecular
Spectra and Scattering",
journal = j-IJQC,
volume = "66",
number = "1",
pages = "111--111",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:53 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29834;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29834&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Tang:1998:VSI,
author = "Au Chin Tang and Qian Shu Li and Wei Cheng",
title = "Vibrational spectra of icosahedral ({$I_h$} and {$I$})
fullerenes",
journal = j-IJQC,
volume = "66",
number = "2",
pages = "113--117",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29844;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29844&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Xie:1998:TPD,
author = "Daiqian Xie and Guosen Yan",
title = "A Theoretical Procedure for Determining Rovibrational
Eigenstates of {van der Waals} Complexes",
journal = j-IJQC,
volume = "66",
number = "2",
pages = "119--122",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29845;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29845&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ley-Koo:1998:HAI,
author = "E. Ley-Koo and A. Flores-Flores",
title = "Helium Atom Inside Boxes with Paraboloidal Walls",
journal = j-IJQC,
volume = "66",
number = "2",
pages = "123--130",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29846;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29846&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Runeberg:1998:RPC,
author = "Nino Runeberg and Pekka Pyykk{\"o}",
title = "Relativistic pseudopotential calculations on {Xe$_2$},
{RnXe}, and {Rn$_2$}: {The} {van der Waals} properties
of radon",
journal = j-IJQC,
volume = "66",
number = "2",
pages = "131--140",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29847;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29847&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Morley:1998:TSS,
author = "John O. Morley",
title = "Theoretical Studies on the Structure and Electronic
Properties of Aryl Sulfides and Sulfones",
journal = j-IJQC,
volume = "66",
number = "2",
pages = "141--147",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29848;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29848&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Mohan:1998:EPM,
author = "C. Gopi Mohan and P. C. Mishra",
title = "Electrostatic Potential Mapping Using Hybridization
Displacement Charge: Atomic Parameters and
Transferability of Charge and Potential",
journal = j-IJQC,
volume = "66",
number = "2",
pages = "149--156",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29849;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29849&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Nakayama:1998:TSE,
author = "Kenichi Nakayama and Haruyuki Nakano and Kimihiko
Hirao",
title = "Theoretical study of the $\pi\rightarrow\pi$* excited
states of linear polyenes: {The} energy gap between
{1$^1B_u^+$} and {$2^1A_g^-$} states and their
character",
journal = j-IJQC,
volume = "66",
number = "2",
pages = "157--175",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29850;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29850&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Mesquita:1998:PFE,
author = "Marcus V. Mesquita and {\'A}urea R. Vasconcellos and
Roberto Luzzi",
title = "Positive-feedback-enhanced {Fr{\"o}hlich}'s
{Bose--Einstein}-like condensation in biosystems",
journal = j-IJQC,
volume = "66",
number = "2",
pages = "177--187",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29851;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29851&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Cardelino:1998:ICD,
author = "B. H. Cardelino and C. E. Moore and D. O. Frazier and
D. G. Musaev and K. Morokuma",
title = "Ab Initio Calculations on the Diacetylene Dimer:
{HCCCC(H)C(H)CCCH}",
journal = j-IJQC,
volume = "66",
number = "3",
pages = "189--202",
month = jan,
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:58 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29853;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29853&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
affiliation = "Spelman Coll",
affiliationaddress = "Atlanta, GA, USA",
journalabr = "Int J Quant Chem",
}
@Article{Fangstrom:1998:DFS,
author = "Torbj{\"o}rn Fangstr{\"o}m and David Edvardsson and
Marie Ericsson and Sten Lunell and Christer Enkvist",
title = "Density functional study of chlorine-oxygen compounds
related to the {ClO} self-reaction",
journal = j-IJQC,
volume = "66",
number = "3",
pages = "203--217",
month = jan,
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:58 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29854;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29854&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
affiliation = "Uppsala Univ",
affiliationaddress = "Uppsala, Sweden",
journalabr = "Int J Quant Chem",
}
@Article{Green:1998:CPQ,
author = "Alex E. S. Green and Mauricio Zanardi",
title = "Cellulose Pyrolysis and Quantum Chemistry",
journal = j-IJQC,
volume = "66",
number = "3",
pages = "219--227",
month = jan,
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:58 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29855;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29855&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
affiliation = "Univ of Florida",
affiliationaddress = "Gainesville, FL, USA",
journalabr = "Int J Quant Chem",
}
@Article{Subramanian:1998:TGE,
author = "Hamsa Subramanian and Jolanta B. Lagowski",
title = "Trends in Geometric and Electronic Properties of
Thiophene- and Cyclopentadiene-Based Polymers",
journal = j-IJQC,
volume = "66",
number = "3",
pages = "229--240",
month = jan,
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:58 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29856;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29856&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
affiliation = "Univ of Newfoundland",
affiliationaddress = "St. John's, Newfoundl, Canada",
journalabr = "Int J Quant Chem",
}
@Article{Busse:1998:NEA,
author = "Georg B{\"u}sse and Heinz Kleindienst and Arne
L{\"u}chow",
title = "Nonrelativistic energies for the {Be} atom:
{Double}-linked {Hylleraas-CI} calculation",
journal = j-IJQC,
volume = "66",
number = "3",
pages = "241--247",
month = jan,
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:58 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29857;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29857&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
affiliation = "Heinrich-Heine-Universit{\"a}t Duesseldorf",
affiliationaddress = "Duesseldorf, Ger",
journalabr = "Int J Quant Chem",
}
@Article{Coutinho:1998:SCM,
author = "Kaline Coutinho and M. J. {De Oliveira} and Sylvio
Canuto",
title = "Sampling Configurations in {Monte Carlo} Simulations
for Quantum Mechanical Studies of Solvent Effects",
journal = j-IJQC,
volume = "66",
number = "3",
pages = "249--253",
month = jan,
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:58 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29858;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29858&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
affiliation = "Universidade de Sao Paulo",
affiliationaddress = "Sao Paulo, Brazil",
journalabr = "Int J Quant Chem",
}
@Article{Kovarsky:1998:MPE,
author = "Victor A. Kovarsky",
title = "Multiquantum processes in the enzyme molecules
immobilized on biological membranes",
journal = j-IJQC,
volume = "66",
number = "3",
pages = "255--260",
month = jan,
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:32:58 MDT 1999",
bibsource = "Compendex database;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29859;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29859&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
affiliation = "Inst of Applied Physics",
affiliationaddress = "Kishinev, Moldova",
journalabr = "Int J Quant Chem",
}
@Article{Radicioni:1998:RPT,
author = "Marcelo D. Radicioni and Carlos G. Diaz and Francisco
M. Fern{\'a}ndez",
title = "Renormalized Perturbation Theory by the Moment Method
for Degenerate States: Anharmonic Oscillators",
journal = j-IJQC,
volume = "66",
number = "4",
pages = "261--272",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:00 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29861;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29861&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Arakane:1998:RFM,
author = "Fusanori Arakane and Osamu Matsuoka",
title = "Recurrence Formulas for Molecular Integrals over
{Laguerre} {Gaussian}-Type Functions",
journal = j-IJQC,
volume = "66",
number = "4",
pages = "273--279",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:00 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29862;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29862&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Amovilli:1998:KED,
author = "C. Amovilli and N. H. March",
title = "Kinetic Energy Density in Terms of Electron Density
for Closed-Shell Atoms in a Bare {Coulomb} Field",
journal = j-IJQC,
volume = "66",
number = "4",
pages = "281--283",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:00 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29863;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29863&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Bauschlicher:1998:QBC,
author = "Charles W. {Bauschlicher Jr.}",
title = "{QCISD(T)} and {B3LYP} Can Correctly Describe the {EA}
of {B}, {Al}, and {Ga}",
journal = j-IJQC,
volume = "66",
number = "4",
pages = "285--286",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:00 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29864;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29864&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Flores-Riveros:1998:GHG,
author = "A. Flores-Riveros",
title = "Generalized {Hylleraas--Gaussian} basis sets applied
to the variational treatment of two-electron atoms",
journal = j-IJQC,
volume = "66",
number = "4",
pages = "287--300",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:00 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29865;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29865&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Wu:1998:TIL,
author = "Z. J. Wu and Q. B. Meng and S. Y. Zhang",
title = "Theoretical investigation of {LaC$_3$}$^{n+}$ $(n = 0,
1, 2)$ clusters by density functional theory",
journal = j-IJQC,
volume = "66",
number = "4",
pages = "301--307",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:00 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29866;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29866&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Manoharan:1998:TIR,
author = "M. Manoharan and P. Venuvanalingam",
title = "Theoretical Investigation on the Reactivity of
Sulfur-Centered Heterocumulenes as Dienophiles in
{Diels--Alder} Reactions and Endo-Lone-Pair Effect",
journal = j-IJQC,
volume = "66",
number = "4",
pages = "309--322",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:00 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29867;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29867&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Burton:1998:MEGa,
author = "P. J. Burton and M. D. Gould",
title = "Matrix elements of {$U(2n)$} generators in a
multishell spin-orbit basis. {I}. {The} del-operator
{MEs} in a two-shell composite {Gelfand--Paldus}
basis",
journal = j-IJQC,
volume = "66",
number = "5",
pages = "323--343",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:02 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29869;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29869&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Burton:1998:MEGb,
author = "P. J. Burton and M. D. Gould",
title = "Matrix elements of {$U(2n)$} generators in a
multishell spin-orbit basis. {II}. {The} two-shell
nonzero shift {ACCs} and {$U(2n)$} generator {MEs}",
journal = j-IJQC,
volume = "66",
number = "5",
pages = "345--363",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:02 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29870;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29870&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Burton:1998:MEGc,
author = "P. J. Burton and M. D. Gould",
title = "Matrix elements of {$U(2n)$} generators in a
multishell spin-orbit basis. {III}. {General}
formulas",
journal = j-IJQC,
volume = "66",
number = "5",
pages = "365--375",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:02 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29871;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29871&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Kladko:1998:PCE,
author = "K. Kladko and P. Fulde",
title = "On the Properties of Cumulant Expansions",
journal = j-IJQC,
volume = "66",
number = "5",
pages = "377--389",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:02 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29872;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29872&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Sak:1998:QCM,
author = "Katrin Sak and Mati Karelson and Jaak J{\"a}rv",
title = "Quantum Chemical Modelling of the Effect of Proline
Residues on Peptide Conformation",
journal = j-IJQC,
volume = "66",
number = "5",
pages = "391--396",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:02 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29873;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29873&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1998:VTCa,
author = "Anonymous",
title = "Volume Table of Contents",
journal = j-IJQC,
volume = "66",
number = "6",
pages = "I--??",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Oct 10 17:04:49 MDT 1998",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Bendazzoli:1998:ABR,
author = "G. L. Bendazzoli and S. Evangelisti",
title = "Asymptotic Behavior of the {RHF} Energy of the {PPP}
Model of Alternant Cyclic Polyenes",
journal = j-IJQC,
volume = "66",
number = "6",
pages = "397--407",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:04 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29875;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29875&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Jursic:1998:CBSa,
author = "Branko S. Jursic",
title = "Complete Basis Set Ab Initio and Hybrid Density
Functional Theory Exploration of the Potential Energy
Surface in the Reaction Between an Amino Radical and
Nitrogen Oxide",
journal = j-IJQC,
volume = "66",
number = "6",
pages = "409--414",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:04 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29876;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29876&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Mohamed:1998:ESP,
author = "Adel A. Mohamed and Maher M. Hamed",
title = "Electronic Spectra of Phenyl-, {3-Pyridyl-},
Furfuryl-, and 2- Theinyl-Imino Derivatives of
Thiazole: Molecular Orbital Treatment",
journal = j-IJQC,
volume = "66",
number = "6",
pages = "415--423",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:04 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29877;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29877&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Tyutyulkov:1998:OPI,
author = "N. Tyutyulkov and G. Madjarova and F. Dietz and M.
Baumgarten",
title = "Organic Polymers with Indirect Magnetic Interaction
Caused by the Symmetry of the Elementary Units",
journal = j-IJQC,
volume = "66",
number = "6",
pages = "425--434",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:04 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29878;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29878&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Kovalenko:1998:ESS,
author = "Andriy Kovalenko",
title = "Extended States of a Shallow Donor Located Near a
Semiconductor-Insulator Interface",
journal = j-IJQC,
volume = "66",
number = "6",
pages = "435--456",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:04 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29879;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29879&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1998:VTPa,
author = "Anonymous",
title = "Volume Title Page",
journal = j-IJQC,
volume = "66",
number = "6",
pages = "459--??",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Oct 10 17:04:49 MDT 1998",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Konkoli:1998:NWAa,
author = "Zoran Konkoli and Dieter Cremer",
title = "A New Way of Analyzing Vibrational Spectra. {I}.
Derivation of Adiabatic Internal Modes",
journal = j-IJQC,
volume = "67",
number = "1",
pages = "1--9",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:06 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29881;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29881&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Konkoli:1998:NWAb,
author = "Zoran Konkoli and J. Andreas Larsson and Dieter
Cremer",
title = "A New Way of Analyzing Vibrational Spectra. {II}.
Comparison of Internal Mode Frequencies",
journal = j-IJQC,
volume = "67",
number = "1",
pages = "11--27",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:06 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29882;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29882&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Konkoli:1998:NWAc,
author = "Zoran Konkoli and Dieter Cremer",
title = "A New Way of Analyzing Vibrational Spectra. {III}
Characterization of Normal Vibrational Modes in Terms
of Internal Vibrational Modes",
journal = j-IJQC,
volume = "67",
number = "1",
pages = "29--40",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:06 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29883;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29883&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Konkoli:1998:NWAd,
author = "Zoran Konkoli and J. Andreas Larsson and Dieter
Cremer",
title = "A new way of analyzing vibrational spectra. {IV}.
{Application} and testing of adiabatic modes within the
concept of the characterization of normal modes",
journal = j-IJQC,
volume = "67",
number = "1",
pages = "41--55",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:06 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29884;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29884&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Arimoto:1998:SAC,
author = "Shigeru Arimoto and Kenichi Fukui and Keith F. Taylor
and Paul G. Mezey",
title = "Structural Analysis of Certain Linear Operators
Representing Chemical Network Systems via the Existence
and Uniqueness Theorems of Spectral Resolution. {IV}",
journal = j-IJQC,
volume = "67",
number = "1",
pages = "57--69",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:06 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29885;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29885&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ohta:1998:NBE,
author = "Katsuhisa Ohta",
title = "New Bosonic Excitation Operators in Many-Electron Wave
Functions",
journal = j-IJQC,
volume = "67",
number = "2",
pages = "71--75",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:09 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29887;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29887&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Dijkstra:1998:REC,
author = "Fokke Dijkstra and Joop H. {Van Lenthe}",
title = "On the Rapid Evaluation of Cofactors in the
Calculation of Nonorthogonal Matrix Elements",
journal = j-IJQC,
volume = "67",
number = "2",
pages = "77--83",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:09 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29888;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29888&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Remacle:1998:IBO,
author = "F. Remacle and R. D. Levine",
title = "On the Inverse {Born--Oppenheimer} Separation for High
{Rydberg} States of Molecules",
journal = j-IJQC,
volume = "67",
number = "2",
pages = "85--100",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:09 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29889;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29889&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Takahashi:1998:SSW,
author = "Ohgi Takahashi and Masayuki Watanabe and Osamu
Kikuchi",
title = "Structure of the {$T_1$}-state wave function of linear
polyenes",
journal = j-IJQC,
volume = "67",
number = "2",
pages = "101--106",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:09 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29890;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29890&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Larsson:1998:RSC,
author = "Sven Larsson and Luc{\'\i}a Rodr{\'\i}guez-Monge",
title = "Role of $\pi$ stabilization in cyclic polyenes",
journal = j-IJQC,
volume = "67",
number = "2",
pages = "107--113",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:09 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29891;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29891&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Miguel:1998:CCT,
author = "Beatriz Miguel and Maixent Cousy and Jean-Paul
Malrieu",
title = "Coupled Cluster Treatments of Periodic Systems from
Strongly Localized Reference Functions: {1-D} and {2-D}
Spin and Electron Lattices",
journal = j-IJQC,
volume = "67",
number = "2",
pages = "115--132",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:09 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29892;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29892&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Sarkar:1998:AEE,
author = "Pranab Sarkar and S. P. Bhattacharyya",
title = "Adiabatic Evolution of Eigenspectra of Model {1-D} and
{2-D} {Hamiltonians}: Quantum Adiabatic Switching
Algorithm in a Time-Independent {Fourier} Grid
{Hamiltonian} Framework",
journal = j-IJQC,
volume = "67",
number = "3",
pages = "133--141",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:11 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29894;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29894&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Moscardo:1998:CPA,
author = "Federico Moscard{\'o} and Angel J.
P{\'e}rez-Jim{\'e}nez",
title = "Correlation Potentials for the {He} Atom and the
Hydrogen Molecule: {A} Comparison Between the
Correlation Factor Approach and {DFT} Correlation
Energy Functionals",
journal = j-IJQC,
volume = "67",
number = "3",
pages = "143--156",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:11 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29895;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29895&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Yu:1998:CFC,
author = "M. Yu and M. Dolg and P. Fulde and H. Stoll",
title = "Charge Fluctuations and Correlation Strength in
Chemical Bonds: First-Row Homonuclear Diatomic
Molecules",
journal = j-IJQC,
volume = "67",
number = "3",
pages = "157--173",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:11 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29896;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29896&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Liao:1998:CAC,
author = "Meng-Sheng Liao and Xin L{\"u} and Qian-Er Zhang",
title = "Cyanide Adsorbed on Coinage Metal Electrodes: {A}
Relativistic Density Functional Investigation",
journal = j-IJQC,
volume = "67",
number = "3",
pages = "175--185",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:11 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29897;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29897&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Lu:1998:TSFa,
author = "Li-Hwa Lu and Kuang-Chung Sun and Cheng Chen",
title = "Theoretical Study of Fullerene Derivatives: {C} {28H4}
and {C$_{28}$X$_4$} Cluster Molecules",
journal = j-IJQC,
volume = "67",
number = "3",
pages = "187--197",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:11 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29898;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29898&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Guseinov:1998:COI,
author = "I. I. Guseinov and A. Ozmen and U. Atav and H.
Yuksel",
title = "Computation of Overlap Integrals Over {Slater}-Type
Orbitals Using Auxiliary Functions",
journal = j-IJQC,
volume = "67",
number = "4",
pages = "199--204",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:13 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29900;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29900&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Jankowski:1998:MSIa,
author = "K. Jankowski and K. Kowalski and K. Rubiniec and J.
Wasilewski",
title = "Model Study of the Impact of Orbital Choice on the
Accuracy of Coupled-Cluster Energies. {I}.
Single-Reference-State Formulation",
journal = j-IJQC,
volume = "67",
number = "4",
pages = "205--219",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:13 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29901;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29901&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Jankowski:1998:MSIb,
author = "K. Jankowski and J. Gryniak{\'o}w and K. Rubiniec",
title = "Model Study of the Impact of Orbital Choice on the
Accuracy of Coupled-Cluster Energies. {II}.
Valence-Universal Coupled-Cluster Method",
journal = j-IJQC,
volume = "67",
number = "4",
pages = "221--237",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:13 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29902;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29902&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Jankowski:1998:MSIc,
author = "K. Jankowski and L. Meissner and K. Rubiniec",
title = "Model Study of the Impact of Orbital Choice on the
Accuracy of Coupled-Cluster Energies. {III}.
State-Universal Coupled-Cluster Method",
journal = j-IJQC,
volume = "67",
number = "4",
pages = "239--250",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:13 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29903;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29903&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Dey:1998:SIH,
author = "Bijoy Kr. Dey and B. M. Deb",
title = "Stripped Ion-Helium Atom Collision Dynamics Within a
Time-Dependent Quantum Fluid Density Functional
Theory",
journal = j-IJQC,
volume = "67",
number = "4",
pages = "251--271",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:13 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29904;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29904&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Guiang:1998:QDL,
author = "Chona S. Guiang and Robert E. Wyatt",
title = "Quantum Dynamics with {Lanczos} Subspace Propagation:
Application to a Laser-Driven Molecular System",
journal = j-IJQC,
volume = "67",
number = "5",
pages = "273--285",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:15 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29906;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29906&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Wu:1998:EAS,
author = "Wei Wu and Anan Wu and Yirong Mo and Menghai Lin and
Qianer Zhang",
title = "Efficient Algorithm for the Spin-Free Valence Bond
Theory. {I} New Strategy and Primary Expressions",
journal = j-IJQC,
volume = "67",
number = "5",
pages = "287--297",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:15 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29907;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29907&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Zicovich-Wilson:1998:USAa,
author = "C. M. Zicovich-Wilson and R. Dovesi",
title = "On the use of symmetry-adapted crystalline orbitals in
{SCF-LCAO} periodic calculations. {I}. {The}
construction of the symmetrized orbitals",
journal = j-IJQC,
volume = "67",
number = "5",
pages = "299--309",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:15 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29908;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29908&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Zicovich-Wilson:1998:USAb,
author = "C. M. Zicovich-Wilson and R. Dovesi",
title = "On the use of symmetry-adapted crystalline orbitals in
{SCF-LCAO} periodic calculations. {II}.
{Implementation} of the self-consistent-field scheme
and examples",
journal = j-IJQC,
volume = "67",
number = "5",
pages = "311--320",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:15 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29909;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29909&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Nicolaides:1998:GAA,
author = "Cleanthes A. Nicolaides and Yannis Komninos",
title = "Geometrically Active Atomic States and the Formation
of Molecules in Their Normal Shapes",
journal = j-IJQC,
volume = "67",
number = "5",
pages = "321--328",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:15 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29910;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29910&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Kubli-Garfias:1998:IAE,
author = "Carlos Kubli-Garfias",
title = "Ab initio assessment of the electronic structure of
5$\alpha$-reduced progestins",
journal = j-IJQC,
volume = "67",
number = "5",
pages = "329--338",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:15 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29911;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29911&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Deumens:1998:BRD,
author = "Erik Deumens",
title = "Book Review: {{\em Dynamics of molecules and chemical
reactions}}, by {Robert E. Wyatt} and {John Z. Zhang}",
journal = j-IJQC,
volume = "67",
number = "5",
pages = "339--339",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:15 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29912;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29912&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Jacchieri:1998:ECA,
author = "Saul G. Jacchieri",
title = "Erratum: {Conformational} analysis of polypeptide
chains with the aid of density of states calculations",
journal = j-IJQC,
volume = "67",
number = "5",
pages = "341--341",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:15 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "See \cite{Jacchieri:1997:CAP}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29913;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29913&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1998:VTCb,
author = "Anonymous",
title = "Volume Table of Contents",
journal = j-IJQC,
volume = "67",
number = "6",
pages = "I--??",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Oct 10 17:04:49 MDT 1998",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Palting:1998:HOT,
author = "Pancracio Palting",
title = "Harmonic Oscillator Tensors. {V}. The Doubly
Degenerate Harmonic Oscillator",
journal = j-IJQC,
volume = "67",
number = "6",
pages = "343--357",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:18 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29915;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29915&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Maran:1998:TSA,
author = "Uko Maran and Alan R. Katritzky and Mati Karelson",
title = "Theoretical Study of Aminoalkylation in the {Mannich}
Reaction of Furan with Methyleneimminium Salt",
journal = j-IJQC,
volume = "67",
number = "6",
pages = "359--366",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:18 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29916;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29916&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Trindle:1998:PRC,
author = "Carl Trindle",
title = "Planarization of 8$\pi$ Rings. {I}. {Confirmation} of
a speculation by {Ermer} on the ground state of a
strained cyclooctatetraene and studies on analogous
oxepins",
journal = j-IJQC,
volume = "67",
number = "6",
pages = "367--376",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:18 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29917;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29917&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Schranz:1998:IAI,
author = "D. W. Schranz and S. G. Davison",
title = "Indirect Adatom Interactions via {III-V} Semiconductor
Substrates",
journal = j-IJQC,
volume = "67",
number = "6",
pages = "377--397",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:18 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29918;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29918&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Cruz:1998:TCH,
author = "A. Cruz and E. Poulain and G. {Del Angel} and S.
Castillo and V. Bertin",
title = "Theoretical characterization of {H$_2$} adsorption on
{AuPt} clusters",
journal = j-IJQC,
volume = "67",
number = "6",
pages = "399--409",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:18 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29919;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29919&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1998:VTPb,
author = "Anonymous",
title = "Volume Title Page",
journal = j-IJQC,
volume = "67",
number = "6",
pages = "411--??",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Oct 10 17:04:49 MDT 1998",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Christiansen:1998:RFF,
author = "Ove Christiansen and Poul J{\o}rgensen and Christof
H{\"a}ttig",
title = "Response Functions from {Fourier} Component
Variational Perturbation Theory Applied to a
Time-Averaged Quasienergy",
journal = j-IJQC,
volume = "68",
number = "1",
pages = "1--52",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:20 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29921;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29921&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Sjovoll:1998:SOC,
author = "Merethe Sj{\o}voll and Hilde Fagerli and Odd Gropen
and Jan Alml{\"o}f and Jeppe Olsen and Trygve U.
Helgaker",
title = "Spin-Orbit and Correlation Effects in Platinum Hydride
{(PtH)}",
journal = j-IJQC,
volume = "68",
number = "1",
pages = "53--64",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:20 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29922;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29922&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ohwada:1998:EBM,
author = "Tomohiko Ohwada and Hirotaka Kagawa and Hiroshi
Ichikawa",
title = "Electrons-in-a-Box Model for Conjugation in Linear
Carbanions",
journal = j-IJQC,
volume = "68",
number = "1",
pages = "65--72",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:20 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29923;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29923&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Brandas:1998:BRX,
author = "Erkki J. Br{\"a}ndas",
title = "Book Review: {{\em X-Ray Radiation of Highly Charged
Ions}}, by {H. F. Beyer}, {H-J Kluge}, and {V. P.
Shevelko}",
journal = j-IJQC,
volume = "68",
number = "1",
pages = "73--??",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Oct 10 17:04:49 MDT 1998",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Brandas:1998:BRA,
author = "Erkki J. Br{\"a}ndas",
title = "Book Review: {{\em Atoms and their spectroscopic
properties}}, by {V. P. Shevelko}",
journal = j-IJQC,
volume = "68",
number = "1",
pages = "73--73",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:20 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29924;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29924&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Pavlov:1998:EDFa,
author = "R. L. Pavlov and J. Maruani and Ya. I. Delchev and R.
McWeeny",
title = "Erratum: {Density} functional theory for open-shell
systems using a local-scaling transformation scheme.
{I}. {Single}-density energy functional",
journal = j-IJQC,
volume = "68",
number = "1",
pages = "75--75",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:20 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "See \cite{Pavlov:1997:DFTa}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29925;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29925&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Pavlov:1998:EDFb,
author = "R. L. Pavlov and F. E. Zakhariev and Ya. I. Delchev
and J. Maruani",
title = "Erratum: {Density} functional theory for open-shell
systems using a local-scaling transformation scheme.
{II}. {Euler--Lagrange} equation for $f(r)$ versus that
for $\rho(r)$",
journal = j-IJQC,
volume = "68",
number = "1",
pages = "77--77",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:20 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "See \cite{Pavlov:1997:DFTb}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29926;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29926&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Matamala-Vasquez:1998:LOC,
author = "Adelio Matamala-V{\'a}squez",
title = "Ladder Operators in Commutator Perturbation Method",
journal = j-IJQC,
volume = "68",
number = "2",
pages = "79--90",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:22 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29928;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29928&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Cassam-Chenai:1998:SBS,
author = "P. Cassam-Chena{\"\i}",
title = "Symmetrizing Broken Symmetry Wave Functions in Quantum
Chemistry",
journal = j-IJQC,
volume = "68",
number = "2",
pages = "91--101",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:22 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29929;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29929&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Katriel:1998:CSP,
author = "Jacob Katriel",
title = "Class-sum products in the symmetric group:
{Combinatorial} interpretation of the reduced class
coefficients",
journal = j-IJQC,
volume = "68",
number = "2",
pages = "103--118",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:22 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29930;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29930&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Gineityte:1998:BDP,
author = "V. Gineityte",
title = "Block Diagonalization Problem for a {Fockian} Matrix
of Molecule and Its Solution by Means of Noncommutative
{Rayleigh--Schr{\"o}dinger} Perturbation Theory",
journal = j-IJQC,
volume = "68",
number = "2",
pages = "119--127",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:22 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29931;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29931&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Harcourt:1998:CTD,
author = "Richard D. Harcourt and Nicholas Pyper",
title = "Charge Transfer and Dispersion Interaction
Stabilization of the {D$_2$h} Isomer of {O$_4$}",
journal = j-IJQC,
volume = "68",
number = "2",
pages = "129--134",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:22 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29932;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29932&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Kessi:1998:DFC,
author = "A. Kessi and B. Delley",
title = "Density Functional Crystal vs. Cluster Models as
Applied to Zeolites",
journal = j-IJQC,
volume = "68",
number = "2",
pages = "135--144",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:22 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29933;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29933&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Guseinov:1998:AEM,
author = "I. I. Guseinov",
title = "Analytical Evaluation of Molecular Electric and
Magnetic Multipole Moment Integrals Over {Slater}-Type
Orbitals",
journal = j-IJQC,
volume = "68",
number = "3",
pages = "145--150",
day = "5",
month = jun,
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:25 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29935;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29935&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Halasz:1998:BFS,
author = "G. Hal{\'a}sz and {\'A}. Vib{\'o}k and S. Suhai",
title = "A {BSSE}-free {SCF} algorithm for intermolecular
interactions. {IV}. {Generalization} for open-shell
systems",
journal = j-IJQC,
volume = "68",
number = "3",
pages = "151--158",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:25 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29936;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29936&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Kello:1998:PCC,
author = "Vladimir Kell{\"o} and Andrzej J. Sadlej",
title = "Picture Change and Calculations of Expectation Values
in Approximate Relativistic Theories",
journal = j-IJQC,
volume = "68",
number = "3",
pages = "159--174",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:25 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29937;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29937&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Guiasu:1998:TWF,
author = "Silviu Guiasu",
title = "Trial Wave Functions Induced by the Minimum Mean
Deviation from Statistical Equilibrium",
journal = j-IJQC,
volume = "68",
number = "3",
pages = "175--190",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:25 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29938;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29938&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Simos:1998:EOM,
author = "T. E. Simos",
title = "Eighth-Order Method for Accurate Computations for the
Elastic Scattering Phase-Shift Problem",
journal = j-IJQC,
volume = "68",
number = "3",
pages = "191--200",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:25 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29939;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29939&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Monaco:1998:DAC,
author = "Guglielmo Monaco",
title = "On the Definition of the Atomic Charge. Relationship
Between {13C NMR} Chemical Shifts, Dipole Moments, and
Charges in Saturated Hydrocarbons",
journal = j-IJQC,
volume = "68",
number = "3",
pages = "201--210",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:25 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29940;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29940&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Tang:1998:VNS,
author = "Au Chin Tang and An Yong Li",
title = "Vibration and {NMR} Spectra of Dihedral Fullerenes",
journal = j-IJQC,
volume = "68",
number = "3",
pages = "211--217",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:25 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29941;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29941&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Bokanowski:1998:UDM,
author = "Olivier Bokanowski and Beno{\^\i}t Grebert",
title = "Utilization of Deformations in Molecular Quantum
Chemistry and Application to Density Functional
Theory",
journal = j-IJQC,
volume = "68",
number = "4",
pages = "221--231",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:27 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29943;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29943&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Guiang:1998:TEW,
author = "Chona S. Guiang and Robert E. Wyatt",
title = "Torsional Eigenvalues of the Water Trimer on Several
Ab Initio Potential Surfaces",
journal = j-IJQC,
volume = "68",
number = "4",
pages = "233--252",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:27 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29944;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29944&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Cardenas:1998:ISR,
author = "R. C{\'a}rdenas and J. Lag{\'u}nez-Otero and A.
Flores-Rivero",
title = "Ab initio study of the reaction mechanism of water
dissociation into the ionic species {OH$^-$} and {H$_3$
O$^+$}",
journal = j-IJQC,
volume = "68",
number = "4",
pages = "253--259",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:27 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29945;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29945&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Okuno:1998:ERP,
author = "Yoshishige Okuno",
title = "Effects of Reaction Path Curvature on Reaction
Dynamics and Rates: Reaction Path {Hamiltonian}
Calculations for Gas-Phase {SN$_2$} Reaction {Cl}$^-$
$+$ {CH$_3$Cl}",
journal = j-IJQC,
volume = "68",
number = "4",
pages = "261--271",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:27 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29946;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29946&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Lu:1998:TSFb,
author = "Li-Hwa Lu and Cheng Chen and Kuang-Chung Sun",
title = "Theoretical study of fullerene derivatives: {C$_{40}$
H$_4$} and {C$_{40}$ X$_4$} cluster molecules",
journal = j-IJQC,
volume = "68",
number = "4",
pages = "273--284",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:27 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29947;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29947&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Mirabella:1998:EOB,
author = "D. A. Mirabella and C. M. Aldao and R. R. Deza",
title = "Exact One-Band Model Calculation Using the
Tight-Binding Method",
journal = j-IJQC,
volume = "68",
number = "4",
pages = "285--291",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:27 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29948;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29948&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Kuprievich:1998:MSA,
author = "Victor A. Kuprievich",
title = "Multiconfigurational {SCF} Approach for High-Symmetry
Molecules and Its Applications to Fullerene Trianion",
journal = j-IJQC,
volume = "68",
number = "5",
pages = "293--304",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:29 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29950;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29950&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Primorac:1998:NEB,
author = "Miljenko Primorac",
title = "New expansion of the {Boys} function",
journal = j-IJQC,
volume = "68",
number = "5",
pages = "305--315",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:29 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29951;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29951&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Alacid:1998:DCL,
author = "Mercedes Alacid and Claude Leforestier",
title = "Direct Calculation of Long Time Correlation Functions
Using an Optical Potential",
journal = j-IJQC,
volume = "68",
number = "5",
pages = "317--328",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:29 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29952;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29952&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Shalabi:1998:CSE,
author = "A. S. Shalabi and Kh. M. Eid and M. A. Kamel and A. A.
El-Barbary",
title = "Comparative study of errors in {HeH$^-$} interaction
energy calculations",
journal = j-IJQC,
volume = "68",
number = "5",
pages = "329--350",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:29 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29953;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29953&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Santhosh:1998:UMA,
author = "C. Santhosh and P. C. Mishra",
title = "Use of Molecular Analogs for the Bases in {DNA}:
Stability of Molecular Pairs in Gas Phase and Aqueous
Media and Possible Role of Hydrogen Bonding",
journal = j-IJQC,
volume = "68",
number = "5",
pages = "351--355",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:29 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29954;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29954&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1998:VTCc,
author = "Anonymous",
title = "Volume Table of Contents",
journal = j-IJQC,
volume = "68",
number = "6",
pages = "I--??",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Oct 10 17:04:49 MDT 1998",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Hill:1998:CGO,
author = "Robert Nyden Hill",
title = "Completeness of {Gaussian} Orbital and Geminal Basis
Sets for Linear Molecules in {$L^2$} and in the First and
Second {Sobolev} Spaces",
journal = j-IJQC,
volume = "68",
number = "6",
pages = "357--384",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:31 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29956;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29956&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Harris:1998:ESS,
author = "Frank E. Harris",
title = "{Ewald} Summations in Systems with Two-Dimensional
Periodicity",
journal = j-IJQC,
volume = "68",
number = "6",
pages = "385--404",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:31 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29957;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29957&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Buendia:1998:FWF,
author = "E. Buend{\'\i}a and F. J. G{\'a}lvez and A. Sarsa",
title = "Factored Wave Function for Bound {S}-Type States of
Two-Electron Atomic Systems",
journal = j-IJQC,
volume = "68",
number = "6",
pages = "405--413",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:31 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29958;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29958&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ming:1998:BSS,
author = "Li Ming",
title = "Band structure study on {LiBeH$_{3-y}$}",
journal = j-IJQC,
volume = "68",
number = "6",
pages = "415--419",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:31 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29959;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29959&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Starikov:1998:TDH,
author = "E. B. Starikov",
title = "Three-dimensional {Hartree--Fock} crystal-orbital
calculations on conducting polymers: {\em
trans\/}-polyacetylene and polythiophene",
journal = j-IJQC,
volume = "68",
number = "6",
pages = "421--429",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:31 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29960;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29960&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1998:CCa,
author = "Anonymous",
title = "Call for Contributions",
journal = j-IJQC,
volume = "68",
number = "6",
pages = "431--??",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Oct 10 17:04:49 MDT 1998",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1998:CCb,
author = "Anonymous",
title = "Call for Contributions",
journal = j-IJQC,
volume = "68",
number = "6",
pages = "433--??",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Oct 10 17:04:49 MDT 1998",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1998:VTPc,
author = "Anonymous",
title = "Volume Title Page",
journal = j-IJQC,
volume = "68",
number = "6",
pages = "435--??",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Oct 10 17:04:49 MDT 1998",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kollman:1998:ITC,
author = "Peter Kollman and Harel Weinstein and Michael Zerner",
title = "Introduction: {Theoretical} chemistry in biology:
{From} molecular structure to functional mechanisms",
journal = j-IJQC,
volume = "69",
number = "1",
pages = "1--1",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:33 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29962;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29962&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Wallace:1998:TCT,
author = "R. Wallace and H. Price and F. Breitbeil",
title = "Toward a Charge-Transfer Model of Neuromolecular
Computing",
journal = j-IJQC,
volume = "69",
number = "1",
pages = "3--10",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:33 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29967;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29967&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Krauss:1998:VCS,
author = "M. Krauss and B. D. Wladkowski",
title = "Vanadate Complex Spectroscopy at the {RNase} {A}
Active Site",
journal = j-IJQC,
volume = "69",
number = "1",
pages = "11--19",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:33 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29968;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29968&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Matyus:1998:DPI,
author = "P{\'e}ter M{\'a}tyus and Andr{\'a}s P. Borosy and
Andr{\'a}s Varr{\'o} and Julius G. Papp and Daniela
Barlocco and Giorgio Cignarella",
title = "Development of Pharmacophores for Inhibitors of the
Rapid Component of the Cardiac Delayed Rectifier
Potassium Current",
journal = j-IJQC,
volume = "69",
number = "1",
pages = "21--30",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:33 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29969;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29969&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Rovira:1998:CSC,
author = "Carme Rovira and Karel Kunc and J{\"u}rg Hutter and
Pietro Ballone and Michele Parrinello",
title = "A comparative study of {O$_2$}, {CO}, and {NO} binding
to iron-porphyrin",
journal = j-IJQC,
volume = "69",
number = "1",
pages = "31--35",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:33 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29970;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29970&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Zhanpeisov:1998:ISS,
author = "N. U. Zhanpeisov and J. Leszczynski",
title = "Ab Initio Study of the Structure of
Isocytosine-Cytosine Standard {Watson--Crick} Base
Pairs in the Gas Phase and in Water",
journal = j-IJQC,
volume = "69",
number = "1",
pages = "37--47",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:33 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29971;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29971&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Molnar:1998:CTD,
author = "Stephen P. Molnar and James W. King",
title = "Correlation of Di- and Tripeptide Distribution
Coefficients with Structure via Unitary Molecular
Indices",
journal = j-IJQC,
volume = "69",
number = "1",
pages = "49--56",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:33 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29972;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29972&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Guarnieri:1998:SCP,
author = "F. Guarnieri and A. B. Schmidt and E. L. Mehler",
title = "Screened {Coulomb} Potential Based Implicit Solvent
Model: Formulation and Parameter Development",
journal = j-IJQC,
volume = "69",
number = "1",
pages = "57--64",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:33 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29973;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29973&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Zheng:1998:RDT,
author = "Weifan Zheng and Sung Jin Cho and Alexander Tropsha",
title = "Rational Design of a Targeted Combinatorial Chemical
Library with Opiatelike Activity",
journal = j-IJQC,
volume = "69",
number = "1",
pages = "65--75",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:33 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29974;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29974&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Marelius:1998:CLB,
author = "J. Marelius and T. Hansson and J. {\AA}qvist",
title = "Calculation of Ligand Binding Free Energies from
Molecular Dynamics Simulations",
journal = j-IJQC,
volume = "69",
number = "1",
pages = "77--88",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:33 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29963;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29963&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Hu:1998:IDF,
author = "Ching-Han Hu and Tore Brinck and Karl Hult",
title = "Ab Initio and Density Functional Theory Studies of the
Catalytic Mechanism for Ester Hydrolysis in Serine
Hydrolases",
journal = j-IJQC,
volume = "69",
number = "1",
pages = "89--103",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:33 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29964;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29964&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Woolf:1998:BHL,
author = "Thomas B. Woolf",
title = "Bacteriorhodopsin $\alpha$-helices in lipid settings:
{Insights} for structure prediction",
journal = j-IJQC,
volume = "69",
number = "1",
pages = "105--116",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:33 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29965;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29965&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Martins:1998:TSM,
author = "Jo{\~a}o B. L. Martins and Carlton A. Taft and Marco
A. Perez and Fulvia M. L. G. Stamato and Elson Longo",
title = "Theoretical Study of Metiamide, {A} Histamine {H2}
Antagonist",
journal = j-IJQC,
volume = "69",
number = "1",
pages = "117--128",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:33 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29966;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29966&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1998:CCc,
author = "Anonymous",
title = "Call for Contributions",
journal = j-IJQC,
volume = "69",
number = "1",
pages = "137--??",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Oct 10 17:04:49 MDT 1998",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1998:CCd,
author = "Anonymous",
title = "Call for Contributions",
journal = j-IJQC,
volume = "69",
number = "1",
pages = "139--??",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Oct 10 17:04:49 MDT 1998",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1998:CCe,
author = "Anonymous",
title = "Call for Contributions",
journal = j-IJQC,
volume = "69",
number = "1",
pages = "141--??",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Oct 10 17:04:49 MDT 1998",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1998:CCf,
author = "Anonymous",
title = "Call for Contributions",
journal = j-IJQC,
volume = "69",
number = "1",
pages = "143--??",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Oct 10 17:04:49 MDT 1998",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{March:1998:SCT,
author = "N. H. March and A. Holas and {\'A}. Nagy",
title = "Self-consistent {Thomas--Fermi--Dirac} theory,
extended by {Gell-Mann} and {Brueckner} correlation, in
terms of density $n$ and its two reduced gradients
$\nabla^2n/n$ and $\nabla n/n$",
journal = j-IJQC,
volume = "69",
number = "2",
pages = "145--149",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:36 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29976;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29976&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Famulari:1998:IGO,
author = "A. Famulari and E. Gianinetti and M. Raimondi and M.
Sironi",
title = "Implementation of Gradient-Optimization Algorithms and
Force Constant Computations in {BSSE-Free} Direct and
Conventional {SCF} Approaches",
journal = j-IJQC,
volume = "69",
number = "2",
pages = "151--158",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:36 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29977;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29977&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Popov:1998:EQV,
author = "Du\v{s}an Popov",
title = "Extension of the Quantum Virial and
{Hellmann--Feynman} Theorems to the Quantum Statistical
Averages",
journal = j-IJQC,
volume = "69",
number = "2",
pages = "159--165",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:36 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29978;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29978&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Edlund:1998:PGO,
author = "{\AA}ke Edlund and Uri Peskin",
title = "A Parallel {Green}'s Operator for Multidimensional
Quantum Scattering Calculations",
journal = j-IJQC,
volume = "69",
number = "2",
pages = "167--173",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:36 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29979;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29979&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ortiz:1998:SOS,
author = "J. V. Ortiz",
title = "Second-Order Shakeup Terms in Electron Propagator
Calculations on {F$_2$} and {H$_2$O$_2$}",
journal = j-IJQC,
volume = "69",
number = "2",
pages = "175--182",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:36 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29980;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29980&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Sergeev:1998:SSC,
author = "Alexei V. Sergeev and David Z. Goodson",
title = "Semiclassical Self-Consistent Field Perturbation
Theory for the Hydrogen Atom in a Magnetic Field",
journal = j-IJQC,
volume = "69",
number = "2",
pages = "183--192",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:36 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29981;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29981&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ponec:1998:EPC,
author = "Robert Ponec",
title = "Electron Pairing and Chemical Bonds: Chemical Bonds
from the Condition of Minimum Fluctuation of Electron
Pair",
journal = j-IJQC,
volume = "69",
number = "2",
pages = "193--200",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:36 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29982;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29982&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Starikov:1998:CAE,
author = "E. B. Starikov",
title = "Could Alkaline-Earth-Intercalated Fullerites Actually
be Semimetals?",
journal = j-IJQC,
volume = "69",
number = "2",
pages = "201--208",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:36 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29983;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29983&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Starikov:1998:TDC,
author = "E. B. Starikov",
title = "Three-dimensional crystal-orbital calculations on
crystallohydrates of mononucleotide salts. {III}.
{Valence}-split basis sets",
journal = j-IJQC,
volume = "69",
number = "2",
pages = "209--217",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:36 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29984;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29984&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1998:CCg,
author = "Anonymous",
title = "Call for Contributions",
journal = j-IJQC,
volume = "69",
number = "2",
pages = "219--??",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Oct 10 17:04:49 MDT 1998",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1998:CCh,
author = "Anonymous",
title = "Call for Contributions",
journal = j-IJQC,
volume = "69",
number = "2",
pages = "221--??",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Oct 10 17:04:49 MDT 1998",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1998:CCi,
author = "Anonymous",
title = "Call for Contributions",
journal = j-IJQC,
volume = "69",
number = "2",
pages = "223--??",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Oct 10 17:04:49 MDT 1998",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1998:CCj,
author = "Anonymous",
title = "Call for Contributions",
journal = j-IJQC,
volume = "69",
number = "2",
pages = "225--??",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Oct 10 17:04:49 MDT 1998",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Trickey:1998:I,
author = "Sam Trickey",
title = "Introduction",
journal = j-IJQC,
volume = "69",
number = "3",
pages = "227--227",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:38 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part I of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29986;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29986&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Trickey:1998:LP,
author = "Sam Trickey",
title = "List of {Participants}",
journal = j-IJQC,
volume = "69",
number = "3",
pages = "229--240",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:38 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part I of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29997;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29997&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Davidson:1998:HRP,
author = "Ernest R. Davidson",
title = "How Robust is Present-Day {DFT}?",
journal = j-IJQC,
volume = "69",
number = "3",
pages = "241--245",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:38 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part I of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29998;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29998&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Nagy:1998:OPM,
author = "{\'A}. Nagy",
title = "Optimized Potential Method for Ensembles of Excited
States",
journal = j-IJQC,
volume = "69",
number = "3",
pages = "247--254",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:38 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part I of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29999;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29999&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Krieger:1998:TDE,
author = "J. B. Krieger and J. Chen and G. J. Iafrate",
title = "Theoretical Determination of Exact-Exchange-Mixing
Parameter Employing the Ionization Energy Theorem",
journal = j-IJQC,
volume = "69",
number = "3",
pages = "255--264",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:38 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part I of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30000;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30000&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Gorling:1998:EEK,
author = "Andreas G{\"o}rling",
title = "Exact Exchange Kernel for Time-Dependent
Density-Functional Theory",
journal = j-IJQC,
volume = "69",
number = "3",
pages = "265--277",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:38 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part I of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30001;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30001&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Chattaraj:1998:QFD,
author = "P. K. Chattaraj and S. Sengupta and A. Poddar",
title = "Quantum Fluid Density Functional Theory of
Time-Dependent Processes",
journal = j-IJQC,
volume = "69",
number = "3",
pages = "279--291",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:38 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part I of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30002;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30002&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Tong:1998:TDD,
author = "Xiao-Min Tong and Shih-I Chu",
title = "Time-dependent density-functional theory with
optimized effective potential and self-interaction
correction: {Application} to the study of coherent
control of multiple high-order harmonic generation of
{He} atoms in mixed laser fields",
journal = j-IJQC,
volume = "69",
number = "3",
pages = "293--303",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:38 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part I of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30003;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30003&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Telnov:1998:GFT,
author = "Dmitry A. Telnov and Shih-I Chu",
title = "Generalized {Floquet} Theoretical Formulation of
Time-Dependent Density Functional Theory for
Many-Electron Systems in Multicolor Laser Fields",
journal = j-IJQC,
volume = "69",
number = "3",
pages = "305--315",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:38 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part I of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30004;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30004&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Dunlap:1998:QCM,
author = "Brett I. Dunlap",
title = "Quantum Chemical Molecular Dynamics",
journal = j-IJQC,
volume = "69",
number = "3",
pages = "317--325",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:38 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part I of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29987;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29987&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Sankey:1998:AAD,
author = "Otto F. Sankey and Alexander A. Demkov and Wolfgang
Windl and J{\"u}rgen H. Fritsch and James P. Lewis and
Miguel Fuentes-Cabrera",
title = "The Application of Approximate Density Functionals to
Complex Systems",
journal = j-IJQC,
volume = "69",
number = "3",
pages = "327--340",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:38 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part I of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29988;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29988&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Molina:1998:MLA,
author = "L. M. Molina and M. J. L{\'o}pez and A. Rubio and J.
A. Alonso and M. J. Stott",
title = "Mixed Lead-Alkali Clusters in the Gas Phase and in
Liquid Alloys",
journal = j-IJQC,
volume = "69",
number = "3",
pages = "341--348",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:38 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part I of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29989;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29989&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Delin:1998:FPO,
author = "Anna Delin and P. Ravindran and Olle Eriksson and J.
M. Wills",
title = "Full-Potential Optical Calculations of Lead
Chalcogenides",
journal = j-IJQC,
volume = "69",
number = "3",
pages = "349--358",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:38 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part I of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29990;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29990&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Pollack:1998:ECC,
author = "L. Pollack and J. P. Perdew",
title = "Exchange-Correlation Corrections to Lattice Dynamics
of Simple Metals, and a Search for Soft Modes at Normal
and Expanded Volume",
journal = j-IJQC,
volume = "69",
number = "3",
pages = "359--369",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:38 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part I of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29991;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29991&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Sosa:1998:TST,
author = "Ram{\'o}n M. Sosa and Patricia Gardiol and Gerardo
Beltrame",
title = "Theoretical Study of Transition-Element Carbonyls
{MCO} and Carbenes {MCH$_2$} ({M} = {Ti}, {Fe}, {Ni})
in the Ground and First Electronic Excited States by
{DFT} Methods",
journal = j-IJQC,
volume = "69",
number = "3",
pages = "371--386",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:38 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part I of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29992;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29992&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Bogel:1998:DIS,
author = "Horst B{\"o}gel and Sven Tobisch and Thomas Nowak",
title = "{DFT} Investigations of the Structure and Bonding
Between Transition Metals and Olefins",
journal = j-IJQC,
volume = "69",
number = "3",
pages = "387--396",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:38 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part I of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29993;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29993&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Lee:1998:FDM,
author = "Tai-Sung Lee and Weitao Yang",
title = "Frozen Density Matrix Approach for Electronic
Structure Calculations",
journal = j-IJQC,
volume = "69",
number = "3",
pages = "397--404",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:38 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part I of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29994;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29994&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Goh:1998:TLS,
author = "Sor Koon Goh and Roger T. Gallant and Alain St-Amant",
title = "Toward Linear Scaling with Fitted Exchange-Correlation
Terms in the {LCGTO-DF} Method via a Divide-and-Conquer
Approach",
journal = j-IJQC,
volume = "69",
number = "3",
pages = "405--421",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:38 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part I of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29995;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29995&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Delley:1998:STA,
author = "B. Delley",
title = "A Scattering Theoretic Approach to Scalar Relativistic
Corrections on Bonding",
journal = j-IJQC,
volume = "69",
number = "3",
pages = "423--433",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:38 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part I of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=29996;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=29996&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1998:CCk,
author = "Anonymous",
title = "Call for Contributions",
journal = j-IJQC,
volume = "69",
number = "3",
pages = "435--??",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Oct 10 17:04:49 MDT 1998",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1998:CCl,
author = "Anonymous",
title = "Call for Contributions",
journal = j-IJQC,
volume = "69",
number = "3",
pages = "437--??",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Oct 10 17:04:49 MDT 1998",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lopez-Boada:1998:GEE,
author = "R. L{\'o}pez-Boada and E. V. Lude{\~n}a and V.
Karasiev and R. Colle",
title = "Generation of Explicit Electron Correlation Functional
by Means of Local Scaling Transformations",
journal = j-IJQC,
volume = "69",
number = "4",
pages = "439--450",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:40 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part II of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30006;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30006&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Weiner:1998:FSC,
author = "B. Weiner and S. B. Trickey",
title = "{Fukutome} Symmetry Classification of the {Kohn--Sham}
Auxiliary One-Matrix and Its Associated State or
Ensemble",
journal = j-IJQC,
volume = "69",
number = "4",
pages = "451--460",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:40 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part II of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30017;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30017&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Theophilou:1998:RFK,
author = "Andreas K. Theophilou",
title = "Rigorous Formulation of a {Kohn} and {Sham} Theory for
States with Special Symmetries",
journal = j-IJQC,
volume = "69",
number = "4",
pages = "461--467",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:40 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part II of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30019;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30019&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Holas:1998:EMH,
author = "A. Holas",
title = "Exact modified-{Hartree--Fock} scheme through
perturbation expansion of density matrices",
journal = j-IJQC,
volume = "69",
number = "4",
pages = "469--483",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:40 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part II of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30020;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30020&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Lopez-Boada:1998:HFC,
author = "R. L{\'o}pez-Boada and E. V. Lude{\~n}a",
title = "{Hartree--Fock} calculations in the context of the
local-scaling transformation version of density
functional theory. {Applications} to the {Lithium} and
{Beryllium} atoms",
journal = j-IJQC,
volume = "69",
number = "4",
pages = "485--496",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:40 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part II of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30021;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30021&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Chan:1998:GHD,
author = "Garnet Kin-Lic Chan",
title = "General Hybrid Density Functional Theory",
journal = j-IJQC,
volume = "69",
number = "4",
pages = "497--502",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:40 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part II of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30022;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30022&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Lopez-Boada:1998:AKE,
author = "R. Lopez-Boada and V. Karasiev and E. V. Ludena and R.
Colle",
title = "Atomic Kinetic- and Exchange-Energy Functionals by
Means of Local-Scaling Transformations",
journal = j-IJQC,
volume = "69",
number = "4",
pages = "503--512",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:40 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part II of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30023;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30023&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Liu:1998:PPR,
author = "Shubin Liu and Valentin Karasiev and Roberto
L{\'o}pez-Boada and Frank De Proft",
title = "Polynomial and {Pad{\'e}} Representations for the
Kinetic Component {$T_c[\rho]$} of the Correlation
Energy Density Functional",
journal = j-IJQC,
volume = "69",
number = "4",
pages = "513--522",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:40 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part II of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30024;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30024&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Wilson:1998:NWL,
author = "Leslie C. Wilson and Stanislav Ivanov",
title = "A new {Wigner}-like correlation-energy functional from
coordinate scaling requirements",
journal = j-IJQC,
volume = "69",
number = "4",
pages = "523--532",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:40 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part II of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30025;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30025&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Lam:1998:VEC,
author = "Kin-Chung Lam and Federico G. Cruz and Kieron Burke",
title = "Virial exchange-correlation energy density in
{Hooke}'s atom",
journal = j-IJQC,
volume = "69",
number = "4",
pages = "533--540",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:40 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part II of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30007;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30007&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ayers:1998:ADF,
author = "Paul W. Ayers and Orville W. {Day Jr.} and Robert C.
Morrison",
title = "Analysis of Density Functionals and Their Density
Tails in {H$_2$}",
journal = j-IJQC,
volume = "69",
number = "4",
pages = "541--550",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:40 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part II of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30008;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30008&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{March:1998:DFT,
author = "N. H. March",
title = "Density Functional Theory in Relation to {X}-Ray and
Neutron Scattering Experiments",
journal = j-IJQC,
volume = "69",
number = "4",
pages = "551--557",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:40 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part II of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30009;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30009&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Fuentealba:1998:MVE,
author = "P. Fuentealba",
title = "A Modified Version of the Electron Localization
Function {(ELF)}",
journal = j-IJQC,
volume = "69",
number = "4",
pages = "559--565",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:40 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part II of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30010;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30010&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Martin:1998:MFT,
author = "Richard M. Martin and Gerardo Ortiz",
title = "Microscopic Functional Theory of Dielectrics",
journal = j-IJQC,
volume = "69",
number = "4",
pages = "567--572",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:40 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part II of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30011;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30011&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Percus:1998:ODF,
author = "J. K. Percus",
title = "Overcomplete Density Functional Description",
journal = j-IJQC,
volume = "69",
number = "4",
pages = "573--580",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:40 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part II of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30012;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30012&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Rey:1998:VSL,
author = "J{\'e}r{\^o}me Rey and Andreas Savin",
title = "Virtual Space Level Shifting and Correlation
Energies",
journal = j-IJQC,
volume = "69",
number = "4",
pages = "581--590",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:40 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part II of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30013;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30013&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Nalewajski:1998:KSD,
author = "Roman F. Nalewajski",
title = "{Kohn--Sham} description of equilibria and charge
transfer in reactive systems",
journal = j-IJQC,
volume = "69",
number = "4",
pages = "591--605",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:40 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part II of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30014;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30014&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Politzer:1998:CDF,
author = "Peter Politzer and Fakher Abu-Awwad and Jane S.
Murray",
title = "Comparison of Density Functional and {Hartree--Fock}
Average Local Ionization Energies on Molecular
Surfaces",
journal = j-IJQC,
volume = "69",
number = "4",
pages = "607--613",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:40 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part II of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30015;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30015&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Dobson:1998:PVW,
author = "John F. Dobson",
title = "Prospects for a {van der Waals} Density Functional",
journal = j-IJQC,
volume = "69",
number = "4",
pages = "615--618",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:40 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part II of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30016;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30016&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Patton:1998:TSR,
author = "David C. Patton and Mark R. Pederson",
title = "A Theoretical Study of Rare-Gas Diatomic Molecules
with the Generalized-Gradient Approximation to Density
Functional Theory",
journal = j-IJQC,
volume = "69",
number = "4",
pages = "619--627",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:40 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Symposium on Density Functional
Theory and Applications (Part II of II)}. Issue Edited
by Sam Trickey, Weitao Yang, Mel Levy.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30018;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30018&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Shigeta:1998:NMT,
author = "Y. Shigeta and Y. Ozaki and K. Kodama and H. Nagao and
H. Kawabe and K. Nishikawa",
title = "Nonadiabatic molecular theory and its application.
{II}. {Water} molecule",
journal = j-IJQC,
volume = "69",
number = "5",
pages = "629--637",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30027;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30027&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Shershakov:1998:CWF,
author = "Dmitry A. Shershakov and Vladimir V. Nechaev",
title = "Correlated Wave-Function Theory for Many-Center
Many-Electron Problems",
journal = j-IJQC,
volume = "69",
number = "5",
pages = "639--648",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30028;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30028&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Bustad:1998:SCI,
author = "J. Bustad and S. Lunell",
title = "Semiempirical Configuration Interaction Calculations
of {XPS} Shake-Up Satellites in {Ni(CO)$_4$}",
journal = j-IJQC,
volume = "69",
number = "5",
pages = "649--657",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30029;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30029&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Gong:1998:ISI,
author = "Xuedong Gong and Heming Xiao",
title = "Ab initio study on the internal rotation of five
$\pi$-conjugated hydrocarbons at {MP2} level",
journal = j-IJQC,
volume = "69",
number = "5",
pages = "659--667",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30030;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30030&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Yamaguchi:1998:SOA,
author = "Yoichi Yamaguchi and Yosuke Nagasawa and Akinori
Murakami and Kenji Tabata",
title = "Stability of Oxygen Anions and Hydrogen Abstraction
from Methane on Reduced {SnO$_2$} (110) Surface",
journal = j-IJQC,
volume = "69",
number = "5",
pages = "669--678",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30031;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30031&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Jursic:1998:CBSb,
author = "Branko S. Jursic",
title = "Complete Basis Set and {Gaussian-2} Ab Initio
Computational Studies of Planar {H{\"u}ckel} and
{M{\"o}bius} Aromatic Hydrogen Clusters",
journal = j-IJQC,
volume = "69",
number = "5",
pages = "679--687",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30032;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30032&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Deumens:1998:BRQ,
author = "Erik Deumens",
title = "Book review: {{\em The Quantum Challenge}}, by {George
Greenstein} and {Arthur G. Zajonc}",
journal = j-IJQC,
volume = "69",
number = "5",
pages = "689--689",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30033;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30033&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Zerner:1998:BR,
author = "Michael C. Zerner",
title = "Books received",
journal = j-IJQC,
volume = "69",
number = "5",
pages = "691--691",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30034;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30034&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1998:VTCd,
author = "Anonymous",
title = "Volume Table of Contents",
journal = j-IJQC,
volume = "69",
number = "6",
pages = "I--??",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Oct 10 17:04:49 MDT 1998",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Aono:1998:RBB,
author = "Shigeyuki Aono",
title = "Relation Between {BCS} {Hamiltonian} and
{Ginzburg--Landau} Equation",
journal = j-IJQC,
volume = "69",
number = "6",
pages = "693--703",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=74986;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=74986&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Mathieu:1998:HIS,
author = "Didier Mathieu and Philippe Simonetti",
title = "Harmonic {IR} Spectra from Empirical Force Fields and
Ab Initio Dipole-Moment Derivatives",
journal = j-IJQC,
volume = "69",
number = "6",
pages = "705--711",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=74987;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=74987&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Surjan:1998:DCO,
author = "P{\'e}ter R. Surj{\'a}n and {\'A}gnes Szabados",
title = "{Dyson}-corrected orbital energies for the
perturbative treatment of electron correlation",
journal = j-IJQC,
volume = "69",
number = "6",
pages = "713--719",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=74988;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=74988&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Grassi:1998:ECE,
author = "A. Grassi and G. M. Lombardo and N. H. March and R.
Pucci",
title = "{$1/Z$} Expansion, Correlation Energy, and {Shannon}
Entropy of Heavy Atoms in Nonrelativistic Limit",
journal = j-IJQC,
volume = "69",
number = "6",
pages = "721--726",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=74989;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=74989&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Bohm:1998:NAT,
author = "Michael C. B{\"o}hm and Johannes Sch{\"u}tt and Sabine
Philipp",
title = "New aspects in the theory of $\pi$ electron systems on
the basis of quantum statistical considerations",
journal = j-IJQC,
volume = "69",
number = "6",
pages = "727--752",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=74990;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=74990&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Mavri:1998:IIH,
author = "Janez Mavri",
title = "Irreversible Inhibition of the {HIV-1} Protease: {A}
Theoretical Study",
journal = j-IJQC,
volume = "69",
number = "6",
pages = "753--759",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:45 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=74991;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=74991&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1998:VTPd,
author = "Anonymous",
title = "Volume Title Page",
journal = j-IJQC,
volume = "69",
number = "6",
pages = "761--??",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Oct 10 17:04:49 MDT 1998",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Morokuma:1998:SIN,
author = "Keiji Morokuma and Ernest R. Davidson and Henry F.
{Schaefer, III}",
title = "Special Issue: {The Ninth International Congress of
Quantum Chemistry (Part I of II)}",
journal = j-IJQC,
volume = "70",
number = "1",
pages = "??--??",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Oct 10 17:04:49 MDT 1998",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Morokuma:1998:I,
author = "Keiji Morokuma",
title = "Introduction",
journal = j-IJQC,
volume = "70",
number = "1",
pages = "1--1",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part I of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=74365;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=74365&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Zerner:1998:LP,
author = "Michael C. Zerner",
title = "List of participants",
journal = j-IJQC,
volume = "70",
number = "1",
pages = "3--40",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part I of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=74368;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=74368&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Mayer:1998:CHA,
author = "I. Mayer",
title = "The Chemical {Hamiltonian} Approach for Treating the
{BSSE} Problem of Intermolecular Interactions",
journal = j-IJQC,
volume = "70",
number = "1",
pages = "41--63",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part I of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=74369;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=74369&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Li:1998:UGB,
author = "Xiangzhu Li and Josef Paldus",
title = "Unitary-group-based open-shell coupled-cluster method
with corrections for connected triexcited clusters.
{I}. {Theory}",
journal = j-IJQC,
volume = "70",
number = "1",
pages = "65--75",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part I of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=74370;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=74370&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Nakano:1998:NCL,
author = "M. Nakano and K. Yamaguchi",
title = "Numerical Coupled {Liouville} Approach: Quantum
Dynamics of Linear Molecular Aggregates Under Intense
Electric Fields",
journal = j-IJQC,
volume = "70",
number = "1",
pages = "77--87",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part I of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=74371;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=74371&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Bouferguene:1998:CDM,
author = "Ahmed Bouferguene and Babak Etemadi and Herbert W.
Jones",
title = "Calculations on Diatomic Molecules with {Slater}-Type
Orbital Basis Sets",
journal = j-IJQC,
volume = "70",
number = "1",
pages = "89--93",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part I of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=74372;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=74372&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Okuyama-Yoshida:1998:TSO,
author = "Naoto Okuyama-Yoshida and Masataka Nagaoka and Tokio
Yamabe",
title = "Transition-state optimization on free energy surface:
{Toward} solution chemical reaction ergodography",
journal = j-IJQC,
volume = "70",
number = "1",
pages = "95--103",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part I of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=74373;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=74373&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Peralta:1998:EEP,
author = "Juan E. Peralta and Mart{\'\i}n C. Ruiz De Az{\'u}a
and Rub{\'e}n H. Contreras",
title = "Electrostatic Effect of the Polar Bond-Polarizable
Bond Interaction on {13C} Chemical Shifts",
journal = j-IJQC,
volume = "70",
number = "1",
pages = "105--112",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part I of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=74355;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=74355&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Sierraalta:1998:TED,
author = "Anibal Sierraalta and Fernando Ruette and Erick
Machado",
title = "Topology of Electronic Densities Taken from Parametric
Methods: {A} Predictive Tool?",
journal = j-IJQC,
volume = "70",
number = "1",
pages = "113--123",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part I of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=74356;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=74356&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Pipek:1998:SBE,
author = "J{\'a}nos Pipek and Imre Varga",
title = "Scaling Behavior of Energy Functionals of Highly
Complex Electron Distributions",
journal = j-IJQC,
volume = "70",
number = "1",
pages = "125--131",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part I of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=74357;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=74357&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Nagaoka:1998:SMU,
author = "Masataka Nagaoka and Yoshishige Okuno and Tokio
Yamabe",
title = "``Statistical-mechanical'' understanding of chemical
reaction mechanism in solution: {Energy} fluctuations
and heat capacities for isomerization of formamidine in
aqueous solution",
journal = j-IJQC,
volume = "70",
number = "1",
pages = "133--145",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part I of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=74358;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=74358&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Wenzel:1998:SBD,
author = "W. Wenzel and M. M. Steiner and K. G. Wilson",
title = "Scaling Behavior of Dynamic Correlation Effects",
journal = j-IJQC,
volume = "70",
number = "1",
pages = "147--157",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part I of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=74359;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=74359&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Mosley:1998:PJB,
author = "David H. Mosley",
title = "Perspectives for {Java}-Based Computational Quantum
Chemistry",
journal = j-IJQC,
volume = "70",
number = "1",
pages = "159--165",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part I of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=74360;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=74360&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Reinhardt:1998:LON,
author = "P. Reinhardt and J-P Malrieu and A. Povill and J.
Rubio",
title = "Localized Orbitals in Nonmetallic Ring Systems",
journal = j-IJQC,
volume = "70",
number = "1",
pages = "167--180",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part I of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=74361;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=74361&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Safouhi:1998:EEI,
author = "H. Safouhi and D. Pinchon and P. E. Hoggan",
title = "Efficient Evaluation of Integrals for Density
Functional Theory: Nonlinear {D} Transformations to
Evaluate Three-Center Nuclear Attraction Integrals over
{B} Functions",
journal = j-IJQC,
volume = "70",
number = "1",
pages = "181--188",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part I of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=74362;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=74362&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Pahl:1998:ACA,
author = "Felix A. Pahl",
title = "Atomic Calculations with an Augmented {Fourier}
Basis",
journal = j-IJQC,
volume = "70",
number = "1",
pages = "189--197",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part I of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=74363;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=74363&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{PerezDelValle:1998:DPE,
author = "C. {P{\'e}rez Del Valle} and R. Lefebvre and O.
Atabek",
title = "Dressed Potential Energy Surface of the Hydrogen
Molecule in High-Frequency {Floquet} Theory",
journal = j-IJQC,
volume = "70",
number = "1",
pages = "199--203",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part I of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=74364;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=74364&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Bytautas:1998:SAN,
author = "L. Bytautas and D. J. Klein",
title = "Symmetry Aspects of Nonrigid Molecules and Transition
Structures in Chemical Reactions",
journal = j-IJQC,
volume = "70",
number = "1",
pages = "205--217",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part I of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=74366;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=74366&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Luo:1998:SRD,
author = "Y. Luo and D. Jonsson and P. Norman and K. Ruud and O.
Vahtras and B. Minaev and H. {\AA}gren and A. Rizzo and
K. V. Mikkelsen",
title = "Some Recent Developments of High-Order Response
Theory",
journal = j-IJQC,
volume = "70",
number = "1",
pages = "219--239",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part I of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=74367;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=74367&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Torii:1998:IHB,
author = "Hajime Torii and Mitsuo Tasumi",
title = "Intermolecular Hydrogen Bonding and Low-Wave-Number
Vibrational Spectra of Formamide,
{$N$}-Methylformamide, and {$N$}-Methylacetamide in the
Liquid State",
journal = j-IJQC,
volume = "70",
number = "2",
pages = "241--252",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:50 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part II of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=74993;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=74993&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Kieninger:1998:DFI,
author = "Martina Kieninger and Oscar N. Ventura and Sandor
Suhai",
title = "Density Functional Investigations of Carboxyl Free
Radicals: Formyloxyl, Acetyloxyl, and Benzoyloxyl
Radicals",
journal = j-IJQC,
volume = "70",
number = "2",
pages = "253--267",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:50 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part II of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=74994;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=74994&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Nakano:1998:HOD,
author = "M. Nakano and S. Yamada and S. Kiribayashi and K.
Yamaguchi",
title = "Hyperpolarizabilities of one-dimensional {H$_n$}
systems: {Second} hyperpolarizability density analyses
for regular and charged solitonlike linear chains",
journal = j-IJQC,
volume = "70",
number = "2",
pages = "269--282",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:50 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part II of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=74995;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=74995&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Cao:1998:SCB,
author = "Zexing Cao and Wei Wu and Qianer Zhang",
title = "Spectroscopic constants and bonding features of the
low-lying states of {LiB} and {LiB$^+$}: {Comparative}
study of {VBSCF} and {MO} theory",
journal = j-IJQC,
volume = "70",
number = "2",
pages = "283--290",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:50 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part II of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=74996;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=74996&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Sakai:1998:TMR,
author = "Shogo Sakai",
title = "Theoretical Model for the Reaction Mechanisms of
Singlet Carbene Analogs into Unsaturated Hydrocarbon
and the Origin of the Activation Barrier",
journal = j-IJQC,
volume = "70",
number = "2",
pages = "291--302",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:50 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part II of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=74997;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=74997&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Viruela:1998:DDF,
author = "Pedro M. Viruela and Rafael Viruela and Enrique Orti",
title = "Difficulties of density functional theory in
predicting the torsional potential of
2,2$\prime$-bithiophene",
journal = j-IJQC,
volume = "70",
number = "2",
pages = "303--312",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:50 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part II of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=74998;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=74998&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Galasso:1998:TSS,
author = "V. Galasso",
title = "Theoretical study of structure and {NMR} properties of
the $\mu$-hydrido-bridged cyclodecyl cation and related
systems",
journal = j-IJQC,
volume = "70",
number = "2",
pages = "313--320",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:50 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part II of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=74999;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=74999&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Xu:1998:ISR,
author = "Zhen-Feng Xu and De-Cai Fang and Xiao-Yuan Fu",
title = "Ab initio study on the reaction
{2NH$_2\rightarrow$NH+NH$_3$}",
journal = j-IJQC,
volume = "70",
number = "2",
pages = "321--329",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:50 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part II of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75000;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75000&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Galabov:1998:CIT,
author = "Boris Galabov and Todor Dudev and Sonia Ilieva and
James R. Durig",
title = "Creation of Intensity Theory in Vibrational
Spectroscopy: Key Role of Ab Initio Quantum Mechanical
Calculations",
journal = j-IJQC,
volume = "70",
number = "2",
pages = "331--339",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:50 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part II of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75001;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75001&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Nagy:1998:ESA,
author = "L. Turi Nagy and M. Micov and \v{L}. Benco and M.
Li\v{s}ka and P. Mach and D. Tunega",
title = "Electronic Structure of Alumina Surface",
journal = j-IJQC,
volume = "70",
number = "2",
pages = "341--350",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:50 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part II of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75002;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75002&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Miguel:1998:FPS,
author = "M. A. San Miguel and C. J. Calzado and Javier
Fern{\'a}ndez Sanz",
title = "First principles study of {Na} adsorption on {TiO$_2$}
(110) surface",
journal = j-IJQC,
volume = "70",
number = "2",
pages = "351--357",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:50 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part II of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75003;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75003&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Sanz:1998:TMA,
author = "Javier Fern{\'a}ndez Sanz and Hasssan Raba{\^a} and
Flor M. Poveda and Antonio M. M{\'a}rquez and Carmen J.
Calzado",
title = "Theoretical models for {$\gamma$-Al$_2$O$_3$} (110)
surface hydroxylation: {An} ab initio embedded cluster
study",
journal = j-IJQC,
volume = "70",
number = "2",
pages = "359--365",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:50 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part II of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75004;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75004&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Martins:1998:CNI,
author = "Jo{\~a}o B. L. Martins and Elson Longo and Carlton A.
Taft",
title = "{CO$_2$} and {NH$_3$} interaction with {ZnO} surface:
{An AM1} study",
journal = j-IJQC,
volume = "70",
number = "2",
pages = "367--374",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:50 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part II of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75005;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75005&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Xiao:1998:ESC,
author = "Shen-Xiu Xiao and Sheng-Yong Yang and Tian-Lang Chen",
title = "Electronic structure and catalytic properties of
{Waugh}-type anion {(NiMo$_9$O$_{32}$)$^{6-}$}",
journal = j-IJQC,
volume = "70",
number = "2",
pages = "375--378",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:50 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part II of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75006;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75006&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Takahashi:1998:QMT,
author = "Junko Takahashi and Masataka Nagaoka and Koichi
Masuda",
title = "Quantum Mechanical Treatment for the Diffusion Process
of a Hydrogen Atom on the Amorphous Water Ice Surface",
journal = j-IJQC,
volume = "70",
number = "2",
pages = "379--385",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:50 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part II of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75007;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75007&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Rovira:1998:OBI,
author = "Carme Rovira and Michele Parrinello",
title = "Oxygen Binding to Iron-Porphyrin: {A} Density
Functional Study Using Both {LSD} and {LSD} + {GC}
Schemes",
journal = j-IJQC,
volume = "70",
number = "2",
pages = "387--394",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:50 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part II of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75008;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75008&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Alagona:1998:IRS,
author = "Giuliano Alagona and Caterina Ghio and Alessandro
Agresti and Riccardo Pratesi",
title = "Ab initio relative stability of a few conformers of
bilirubin {\em in vacuo\/} and in aqueous solution
{(PCM)}",
journal = j-IJQC,
volume = "70",
number = "2",
pages = "395--405",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:50 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part II of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75009;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75009&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Friedemann:1998:GMS,
author = "Rudolf Friedemann and Anne Von Fircks and Stefan
Naumann",
title = "{GROMOS-MD} Simulations on the Coenzyme Thiamin
Diphosphate in Apoenzyme Environment",
journal = j-IJQC,
volume = "70",
number = "2",
pages = "407--413",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:50 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Ninth International Congress
of Quantum Chemistry (Part II of II)}. Issue Edited by
Keiji Morokuma, Ernest R. Davidson, Henry F. Schaefer
III.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75010;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75010&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Medhi:1998:MSP,
author = "Chitrani Medhi and S. P. Bhattacharyya",
title = "Macroscopic Solvent Polarization-Induced
Reorganization of the Electron Density in Different
Excited States: {A} Study on Formaldehyde Molecule by a
Multiconfiguration Self-Consistent Reaction-Field
Method",
journal = j-IJQC,
volume = "70",
number = "3",
pages = "415--428",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:52 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75012;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75012&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Katriel:1998:PAC,
author = "Jacob Katriel",
title = "Products of Arbitrary Class-Sums in the Symmetric
Group",
journal = j-IJQC,
volume = "70",
number = "3",
pages = "429--440",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:52 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75013;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75013&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Dey:1998:FQF,
author = "Bijoy Kr. Dey and B. M. Deb",
title = "Femtosecond Quantum Fluid Dynamics of Helium Atom
Under an Intense Laser Field",
journal = j-IJQC,
volume = "70",
number = "3",
pages = "441--474",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:52 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75014;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75014&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Belmiloud:1998:DSA,
author = "D. Belmiloud and M. Jacon",
title = "{DVR} Study of the {${\rm A}_2{\rm B}_2 \leftarrow
{\rm X}^2{\rm A}_1$} Absorption Spectrum of {${\rm
NO}_2$}",
journal = j-IJQC,
volume = "70",
number = "3",
pages = "475--489",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:52 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75015;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75015&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Tachikawa:1998:FVM,
author = "Masanori Tachikawa and Kazuhide Mori and Kazunari
Suzuki and Kaoru Iguchi",
title = "Full Variational Molecular Orbital Method: Application
to the Positron-Molecule Complexes",
journal = j-IJQC,
volume = "70",
number = "3",
pages = "491--501",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:52 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75016;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75016&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anusooya:1998:RCC,
author = "Y. Anusooya and Aparna Chakrabarti and Swapan K. Pati
and S. Ramasesha",
title = "Ring Currents in Condensed Ring Systems",
journal = j-IJQC,
volume = "70",
number = "3",
pages = "503--513",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:52 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75017;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75017&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Wang:1998:PRP,
author = "Qinmi Wang and Hualiang Jiang and Jianzhong Chen and
Kaixian Chen and Ruyun Ji",
title = "On the possible reaction pathway for the acylation of
{AChE}-catalyzed hydrolysis of {ACh}: {Semiempirical}
quantum chemical study",
journal = j-IJQC,
volume = "70",
number = "3",
pages = "515--525",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:52 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75018;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75018&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1998:BR,
author = "Anonymous",
title = "Books received",
journal = j-IJQC,
volume = "70",
number = "3",
pages = "527--527",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:52 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75019;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75019&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1998:Ia,
author = "Anonymous",
title = "Introduction",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "529--529",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75033;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75033&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Mazziotti:1998:CSE,
author = "David A. Mazziotti",
title = "{3,5-Contracted} {Schr{\"o}dinger} Equation:
Determining Quantum Energies and Reduced Density
Matrices Without Wave Functions",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "557--570",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75034;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75034&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Surjan:1998:NPM,
author = "P{\'e}ter R. Surj{\'a}n and Mih{\'a}ly K{\'a}llay and
{\'A}gnes Szabados",
title = "Nonconventional Partitioning of the Many-Body
{Hamiltonian} for Studying Correlation Effects",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "571--581",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75035;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75035&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Burke:1998:UEC,
author = "Kieron Burke and Federico G. Cruz and Kin-Chung Lam",
title = "Unambiguous Exchange --- Correlation Energy Density
for {Hooke}'s Atom",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "583--589",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75036;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75036&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Karasiev:1998:SCD,
author = "V. Karasiev and E. V. Lude{\~n}a and R.
L{\'o}pez-Boada",
title = "{SCF} Calculations with Density-Dependent
Local-Exchange Potential",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "591--600",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75037;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75037&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Crawford:1998:IAT,
author = "T. Daniel Crawford and John F. Stanton",
title = "Investigation of an Asymmetric Triple-Excitation
Correction for Coupled-Cluster Energies",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "601--611",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75038;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75038&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Wenzel:1998:EEB,
author = "W. Wenzel",
title = "Excitation Energies in {Brillouin--Wigner}-Based
Multireference Perturbation Theory",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "613--622",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75039;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75039&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Harris:1998:MAL,
author = "Frank E. Harris",
title = "More About the Leaky Aquifer Function",
journal = j-IJQC,
volume = "70",
number = "4--5",
pages = "623--626",
month = "????",
year = "1998",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/(SICI)1097-461X(1998)70:4/5<623::AID-QUA8>3.0.CO;2-X",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 4 06:59:18 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/bibnet/authors/h/harris-frank-e.bib;
https://www.math.utah.edu/pub/tex/bib/elefunt.bib;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
https://www.math.utah.edu/pub/tex/bib/ijqc1990.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75040;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75040&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "7 Dec 1998",
}
@Article{Ritchie:1998:UFF,
author = "Burke Ritchie and Charles A. Weatherford",
title = "Use of a {Fast Fourier Transform} ({FFT}) {3D}
Time-Dependent {Schr{\"o}dinger} Equation Solver in
Molecular Electronic Structure",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "627--635",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75041;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75041&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Thorsteinsson:1998:MVB,
author = "Thorstein Thorsteinsson and David L. Cooper",
title = "Modern Valence Bond Descriptions of Molecular Excited
States: An Application of {CASVB}",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "637--650",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75042;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75042&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ortiz:1998:ABO,
author = "J. V. Ortiz",
title = "Approximate {Brueckner} orbitals and shakeup operators
in electron propagator calculations: {Applications} to
{F$^-$ And OH$^-$}",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "651--658",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75043;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75043&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Shigeta:1998:DFT,
author = "Y. Shigeta and H. Takahashi and S. Yamanaka and M.
Mitani and H. Nagao and K. Yamaguchi",
title = "Density Functional Theory Without the
{Born--Oppenheimer} Approximation and Its Application",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "659--669",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75044;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75044&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Qian:1998:AAS,
author = "Zhixin Qian and Viraht Sahni",
title = "Analytical Asymptotic Structure of the {Pauli},
{Coulomb}, and Correlation-Kinetic Components of the
{Kohn--Sham} Theory Exchange --- Correlation Potential
in Atoms",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "671--680",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75045;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75045&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Nagy:1998:ESD,
author = "{\'A}. Nagy",
title = "Excited States in Density Functional Theory",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "681--691",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75046;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75046&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Michelini:1998:DFS,
author = "M. C. Michelini and R. Pis Diez and A. H. Jubert",
title = "A Density Functional Study of Small Nickel Clusters",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "693--701",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75047;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75047&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Hagmann:1998:SEN,
author = "Mark J. Hagmann",
title = "Stable and Efficient Numerical Method for Solving the
{Schr{\"o}dinger} Equation to Determine the Response of
Tunneling Electrons to a Laser Pulse",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "703--710",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75048;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75048&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Tretiak:1998:EES,
author = "Sergei Tretiak and Vladimir Chernyak and Shaul
Mukamel",
title = "Excited Electronic States of Carotenoids:
Time-Dependent Density-Matrix-Response Algorithm",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "711--727",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75049;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75049&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{McKellar:1998:BCA,
author = "Alexander J. McKellar and Dodi Heryadi and Danny L.
Yeager",
title = "Balanced complete active space choices with the
multiconfigurational spin tensor electron propagator
method: {The} vertical ionization potentials of
{NH$_2$}",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "729--736",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75050;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75050&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Kamada:1998:EHA,
author = "Kenji Kamada and Minoru Ueda and Hidemi Nagao and
Keiko Tawa and Takushi Sugino and Yo Shimizu and Koji
Ohta",
title = "Effect of Heavy Atom on the Second Hyperpolarizability
of Tetrahydrofuran Homologs Investigated by Ab Initio
Molecular Orbital Method",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "737--743",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75051;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75051&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Serrano:1998:SDL,
author = "Agostinho Serrano and Sylvio Canuto",
title = "Structure Dependence of the Low-Lying Excited States
and the First Dipole Hyperpolarizability of Phenol
Blue",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "745--750",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75052;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75052&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Champagne:1998:NFD,
author = "Beno{\^\i}t Champagne and {\'E}ric A. Perp{\`e}te and
Jean-Marie Andr{\'e}",
title = "Nonresonant frequency dispersion of the electronic
second hyperpolarizability of {\em all-trans\/}
polysilane chains: {An} ab initio {TDHF} oligomeric
approach",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "751--761",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75053;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75053&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Calderone:1998:CEH,
author = "Anna Calderone and Jean-Pol Vigneron",
title = "Computation of the Electromagnetic Harmonics
Generation by Stratified Systems Containing Nonlinear
Layers",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "763--770",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75054;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75054&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Karna:1998:TCE,
author = "Shashi P. Karna",
title = "Theory and Calculations of Electric Field Effects on
Hyperfine Interactions",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "771--778",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75055;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75055&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{March:1998:DEG,
author = "N. H. March",
title = "Differential Equations for Ground-State Electron
Density and {Slater} Sum in Atoms and Molecules With
and Without External Fields",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "779--788",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75056;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75056&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Schmelcher:1998:GSA,
author = "P. Schmelcher",
title = "Ground States of Atoms and Molecules in Strong
Magnetic Fields",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "789--795",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75057;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75057&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Butler:1998:SAD,
author = "Leslie G. Butler and Andrew W. Maverick and Cenobio H.
Gallegos and Jeffrey D. Goettee and Bruce R. Marshall
and C. Maxwell Fowler and Dwight G. Rickel and Joseph
M. Gonzales and Leonard J. Tabaka",
title = "Some Aspects of Data Processing for an Optical
Absorption Experiment in a Pulsed 1000-{Tesla} Magnet",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "797--804",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75058;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75058&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Bunge:1998:ODP,
author = "Carlos F. Bunge and Rocio J{\'a}uregui and Eugenio
Ley-Koo",
title = "Optimal Decoupling of Positive- and Negative-Energy
Orbitals in Relativistic Electronic Structure
Calculations Beyond {Hartree--Fock}",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "805--812",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75059;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75059&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Vilkas:1998:SOM,
author = "Marius Jonas Vilkas and Yasuyuki Ishikawa and Konrad
Koc",
title = "Second-Order Multiconfigurational {Dirac--Fock}
Calculations on Boronlike Ions",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "813--823",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75060;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75060&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Boettger:1998:RES,
author = "J. C. Boettger",
title = "Relativistic Effects on the Structural Phase Stability
of Molybdenum",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "825--830",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75061;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75061&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Kryachko:1998:WCA,
author = "Eugene S. Kryachko",
title = "Water Cluster Approach to Study Hydrogen-Bonded
Pattern in Liquid Water: Ab Initio Orientational
Defects in Water Hexamers and Octamers",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "831--853",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75062;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75062&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Gorb:1998:IPT,
author = "Leonid Gorb and Jerzy Leszczynski",
title = "Intramolecular Proton Transfer in Monohydrated
Tautomers of Cytosine: An Ab Initio
Post-{Hartree--Fock} Study",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "855--862",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75063;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75063&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Schmiedekamp-Schneeweis:1998:IHB,
author = "Lumelle A. Schmiedekamp-Schneeweis and Judy Ozment
Payne",
title = "Intramolecular Hydrogen Bonding in
Resonance-Stabilized Systems",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "863--875",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75064;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75064&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ebner:1998:QCS,
author = "Christoph Ebner and Roland Sansone and Michael
Probst",
title = "Quantum Chemical Study of the Interaction of Nitrate
Anion with Water",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "877--886",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75065;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75065&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Chuang:1998:IES,
author = "Yao-Yuan Chuang and Christopher J. Cramer and Donald
G. Truhlar",
title = "The Interface of Electronic Structure and Dynamics for
Reactions in Solution",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "887--896",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75066;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75066&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Herman:1998:DSD,
author = "Michael F. Herman",
title = "The Development of Semiclassical Dynamical Methods and
Their Application to Vibrational Relaxation in
Condensed-Phase Systems",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "897--907",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75067;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75067&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Kumar:1998:SEC,
author = "Anil Kumar and Bidhan C. Saha and Charles A.
Weatherford",
title = "Single-electron-capture cross sections by
alpha-particles from ground state {K}$(4s)$ and
{Rb}$(5s)$: {A} molecular-state approach",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "909--917",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75068;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75068&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Porter:1998:BBS,
author = "L. E. Porter",
title = "{Bethe--Bloch} Stopping-Power Parameters for {GaAs}
and {ZnSe}",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "919--924",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75069;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75069&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Boone:1998:SPE,
author = "Amy J. Boone and David H. Magers and Jerzy
Leszczy{\'n}ski",
title = "Searches on the potential energy hypersurfaces of
{GeCH$_2$}, {GeSiH$_2$}, and {Ge$_2$ H$_2$}",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "925--932",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75070;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75070&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Casida:1998:ESP,
author = "Mark E. Casida and Kim C. Casida and Dennis R.
Salahub",
title = "Excited-state potential energy curves from
time-dependent density-functional theory: {A} cross
section of formaldehyde's {$^1A_1$} manifold",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "933--941",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75071;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75071&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Paikeday:1998:EPN,
author = "Joseph M. Paikeday and Amber Longstreet",
title = "Effective Potential for $e$-Neon and $e$-Argon
Scattering by {DCS} Minimization at Intermediate
Energies",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "943--950",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75072;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75072&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Soscun:1998:ISM,
author = "Humberto Sosc{\'u}n and Javier Hern{\'a}ndez and Olga
Castellano and Gilberto D{\'\i}az and Alan Hinchliffe",
title = "Ab Initio {SCF-MO} Study of the Topology of the Charge
Distribution of Acid Sites of Zeolites",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "951--960",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75073;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75073&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Su:1998:STS,
author = "Ming-Der Su and San-Yan Chu",
title = "Singlet-triplet splitting and the activation of
{C\singlebond{}H} bond for {($\eta^5$-C$_5$H$_5$)M(CO)}
isoelectronic fragments: {A} theoretical study",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "961--971",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75074;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75074&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{DeBritoMota:1998:SEP,
author = "F. {De Brito Mota} and J. F. Justo and A. Fazzio",
title = "Structural and Electronic Properties of Silicon
Nitride Materials",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "973--980",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75075;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75075&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Arteca:1998:ATD,
author = "Gustavo A. Arteca",
title = "Analysis of Three-Dimensional Molecular Shape Using
Surface Area and Molecular Volume Scaling Descriptors",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "981--992",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75076;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75076&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Larin:1998:AMC,
author = "A. V. Larin and D. P. Vercauteren",
title = "Approximations of the {Mulliken} Charges for the
Oxygen and Silicon Atoms of Zeolite Frameworks
Calculated with a Periodic {Hartree--Fock} Scheme",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "993--1001",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75077;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75077&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{DelBene:1998:SPN,
author = "Janet E. {Del Bene} and John D. Watts and Rodney J.
Bartlett",
title = "Structure and properties of {NH$_5$}$^{2+}$: {A}
dication with two 2-electron 3-center bonds",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "1003--1007",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75021;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75021&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Dobrowolski:1998:CCK,
author = "Jan Cz. Dobrowolski and Aleksander P. Mazurek",
title = "{C}$_{60}$ carbyne knots (from 0$_1$ to 6$_3$):
{Theoretical NMR} spectra",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "1009--1015",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75022;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75022&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Levitina:1998:PEW,
author = "T. Levitina and E. J. Br{\"a}ndas",
title = "Perturbed Ellipsoidal Wave Functions for Quantum
Scattering",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "1017--1022",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75023;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75023&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Freund:1998:PRP,
author = "Lars Freund and Martin Klessinger",
title = "Photochemical Reaction Pathways of Ethylene",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "1023--1028",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75024;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75024&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Castillo:1998:TSH,
author = "S. Castillo and V. Bertin and E. Solano-Reyes and H.
Luna-Garcia and A. Cruz and E. Poulain",
title = "Theoretical Studies on Hydrogen Activation by Iridium
Dimers",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "1029--1035",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75025;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75025&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Dolgounitcheva:1998:EPT,
author = "O. Dolgounitcheva and V. G. Zakrzewski and J. V. Ortiz
and G. V. Ratovski",
title = "Electron Propagator Theory of Conformational Effects
on Anisole and Thioanisole Photoelectron Spectra",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "1037--1043",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75026;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75026&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Flamant:1998:AFS,
author = "I. Flamant and J. G. Fripiat and J. Delhalle",
title = "Advantages of the {Fourier} Space {RHF} Band Structure
Approach: Application to Polyoxymethylene Using a
Distributed Basis Set of $s$-Type {Gaussian}
Functions",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "1045--1054",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75027;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75027&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Persson:1998:PIC,
author = "Petter Persson and Arvids Stashans and Robert
Bergstr{\"o}m and Sten Lunell",
title = "Periodic {INDO} calculations of organic adsorbates on
a {TiO$_2$} surface",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "1055--1066",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75028;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75028&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Dorfman:1998:SIP,
author = "Simon Dorfman and David Fuks and Vlad Liubich",
title = "Sign of the Interaction Parameter in Disordered
{Fe-Al} Alloys",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "1067--1073",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75029;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75029&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Nagao:1998:PCM,
author = "Hidemi Nagao and Masaki Mitani and Masamichi Nishino
and Yasuteru Shigeta and Yasunori Yoshioka and Kizashi
Yamaguchi",
title = "Possibility of Charge-Mediated Superconductors in the
Intermediate Region of Metal-Insulator Transitions",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "1075--1084",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75030;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75030&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ellis:1998:ECS,
author = "Donald E. Ellis and Simon Dorfman and David Fuks and
Ronit Evenhaim and Kleber C. Mundim",
title = "Embedded Cluster and Supercell Study of the Structure
of the Interstitial {Cu-C} Solid Solutions",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "1085--1092",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75031;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75031&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Vigneron:1998:AMG,
author = "Jean-Pol Vigneron and Abboud Benaissa and Isabelle
Derycke and Alain Wiame and R. Sporken",
title = "Atomic motion at germanium surfaces: {Scanning}
tunneling microscopy and {Monte Carlo} simulations",
journal = j-IJQC,
volume = "70",
number = "4-5",
pages = "1093--1097",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75032;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75032&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1998:PS,
author = "Anonymous",
title = "Published Symposia",
journal = j-IJQC,
volume = "70",
number = "6",
pages = "XII--??",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 16:19:56 MST 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1998:VTCe,
author = "Anonymous",
title = "Volume Table of Contents",
journal = j-IJQC,
volume = "70",
number = "6",
pages = "I--??",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 16:19:56 MST 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1998:Ib,
author = "Anonymous",
title = "Introduction",
journal = j-IJQC,
volume = "70",
number = "6",
pages = "1099--1099",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:57 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75079;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75079&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Tasso:1998:OLA,
author = "S. M. Tasso and L. Bruno-Blanch and G. L. Esti{\'u}",
title = "On the Origin of the Lack of Anticonvulsant Activity
of Some Valpromide Derivatives",
journal = j-IJQC,
volume = "70",
number = "6",
pages = "1127--1136",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:57 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75080;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75080&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Murray:1998:MSE,
author = "Jane S. Murray and Fakher Abu-Awwad and Peter Politzer
and Leslie C. Wilson and Allan S. Troupin and Ryan E.
Wall",
title = "Molecular Surface Electrostatic Potentials of
Anticonvulsant Drugs",
journal = j-IJQC,
volume = "70",
number = "6",
pages = "1137--1143",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:57 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75081;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75081&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Guimaraes:1998:PSN,
author = "Cristiano Ruch Werneck Guimar{\~a}es and Joaquim
Delphino Da Motta Neto and Ricardo Bicca De
Alencastro",
title = "Phytochrome Structure: {A} New Methodological
Approach",
journal = j-IJQC,
volume = "70",
number = "6",
pages = "1145--1157",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:57 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75082;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75082&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Stavrev:1998:SHS,
author = "Krassimir K. Stavrev and Michael C. Zerner",
title = "Studies on the Hydrogenation Steps of the Nitrogen
Molecule at the {{\em Azotobacter vinelandii}}
Nitrogenase Site",
journal = j-IJQC,
volume = "70",
number = "6",
pages = "1159--1168",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:57 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75083;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75083&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ramek:1998:RCA,
author = "Michael Ramek and Sanja Tomic\'",
title = "{RHF} Conformational Analysis of the Auxin
Phytohormones $n$-Ethyl-{Indole-3-Acetic} Acid $(n = 4,
5, 6)$",
journal = j-IJQC,
volume = "70",
number = "6",
pages = "1169--1175",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:57 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75084;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75084&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Pack:1998:PCT,
author = "George R. Pack and Linda Wong and Gene Lamm",
title = "{P$K_a$} of cytosine on the third strand of triplex
{DNA}: {Preliminary Poisson--Boltzmann} calculations",
journal = j-IJQC,
volume = "70",
number = "6",
pages = "1177--1184",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:57 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75085;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75085&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Molnar:1998:PTM,
author = "Stephen P. Molnar and James W. King",
title = "Parametric Transform and Moment Indices in the
Molecular Dynamics of $n$-Alkanes",
journal = j-IJQC,
volume = "70",
number = "6",
pages = "1185--1194",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:57 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75086;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75086&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Lorenzini:1998:TAP,
author = "M. L. Lorenzini and L. Bruno-Blanch and G. L.
Esti{\'u}",
title = "Theoretical Approach to the Pharmacophoric Pattern of
{GABAB} Analogs",
journal = j-IJQC,
volume = "70",
number = "6",
pages = "1195--1208",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:57 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75087;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75087&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Randic:1998:OMC,
author = "Milan Randi{\'c} and Jan Cz. Dobrowolski",
title = "Optimal Molecular Connectivity Descriptors for
Nitrogen-Containing Molecules",
journal = j-IJQC,
volume = "70",
number = "6",
pages = "1209--1215",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:33:57 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=75088;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=75088&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1998:VTPe,
author = "Anonymous",
title = "Volume Title Page",
journal = j-IJQC,
volume = "70",
number = "6",
pages = "1217--??",
month = "????",
year = "1998",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 16:19:56 MST 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kennedy:1999:EIS,
author = "H. L. Kennedy and Y. Zhao",
title = "Evaluation of Integrals over {STOs} on Different
Centers and the Complementary Convergence
Characteristics of Ellipsoidal-Coordinate and
Zeta-Function Expansions",
journal = j-IJQC,
volume = "71",
number = "1",
pages = "1--13",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:00 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=20000006;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=20000006&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Cadilhe:1999:CFB,
author = "M. W. Cadilhe and J. J. Soares Neto",
title = "Classical Four-Body Problem in Hyperspherical
Coordinates",
journal = j-IJQC,
volume = "71",
number = "1",
pages = "15--24",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:00 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=20000009;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=20000009&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Komninos:1999:MSS,
author = "Yannis Komninos and Cleanthes A. Nicolaides",
title = "Molecular Shape, Shape of the Geometrically Active
Atomic States, and Hybridization",
journal = j-IJQC,
volume = "71",
number = "1",
pages = "25--34",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:00 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "See erratum \cite{Komninos:1999:EMS}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=20000010;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=20000010&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ichikawa:1999:COT,
author = "Hiroshi Ichikawa and Atsushi Yoshida",
title = "Complete One- and Two-Center Partitioning Scheme for
the Total Energy in the {Hartree--Fock} Theory",
journal = j-IJQC,
volume = "71",
number = "1",
pages = "35--46",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:00 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=20000011;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=20000011&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Cundari:1999:RPM,
author = "Thomas R. Cundari and Wentao Fu",
title = "Reaction pathways for model {II-VI} precursors: {A}
computational study",
journal = j-IJQC,
volume = "71",
number = "1",
pages = "47--56",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:00 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=20000012;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=20000012&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Monaco:1999:SSR,
author = "Regina R. Monaco and William C. Gardiner and Stephen
Kirschner",
title = "Semiempirical Studies of Ring Twisting in {\em
cis}-Stilbene and Related Biomolecules",
journal = j-IJQC,
volume = "71",
number = "1",
pages = "57--62",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:00 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=20000013;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=20000013&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Merawa:1999:CPP,
author = "Mohammadou M{\'e}rawa and Michel R{\'e}rat and Albert
Lichanot",
title = "Compton Profiles and Polarizability as Two Similar
Probes of the Electronic Structure of 14 Electron
Diatomic Molecules: An Ab Initio Study",
journal = j-IJQC,
volume = "71",
number = "1",
pages = "63--74",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:00 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=20000014;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=20000014&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Hu:1999:CRS,
author = "Wan-Ping Hu and Sean A. Harris and Peter W. Harland
and Leon F. Phillips",
title = "Collisional Reorientation of Symmetric-Top Molecules
in {Stark} Fields",
journal = j-IJQC,
volume = "71",
number = "1",
pages = "75--82",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:00 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=20000015;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=20000015&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ikegami:1999:CPM,
author = "Hidetsugu Ikegami",
title = "Coherent positronium molecule {Ps$_n$} and scanning
clustering microscopy",
journal = j-IJQC,
volume = "71",
number = "1",
pages = "83--99",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:00 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=20000016;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=20000016&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Tamm:1999:QMS,
author = "Tarmo Tamm and J{\"u}ri Tamm and Mati Karelson",
title = "A Quantum-Mechanical Study of Oxidized Oligopyrroles",
journal = j-IJQC,
volume = "71",
number = "1",
pages = "101--109",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:00 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=20000007;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=20000007&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Dunne:1999:AFT,
author = "Lawrence J. Dunne",
title = "Application of the Field-Theoretic Method of {Bohm}
and {Pines} to a Study of the Metal-Insulator
Transition in Doped Dielectric Media",
journal = j-IJQC,
volume = "71",
number = "1",
pages = "111--120",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:00 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=20000008;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=20000008&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Moyano:1999:AWF,
author = "Gloria E. Moyano and Jos{\'e} L. Villaveces",
title = "Approximation to Wave Functions, Energies, and Energy
Derivatives for Molecular Systems Based on Distribution
Theory",
journal = j-IJQC,
volume = "71",
number = "2",
pages = "121--132",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:02 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=20000018;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=20000018&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Zilberg:1999:EPO,
author = "Shmuel Zilberg and Yehuda Haas",
title = "The Electron-Pair Origin of Antiaromaticity:
Spectroscopic Manifestations",
journal = j-IJQC,
volume = "71",
number = "2",
pages = "133--145",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:02 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=20000021;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=20000021&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Eid:1999:HOF,
author = "R. Eid",
title = "Higher Order Finite Element Solution of the
One-Dimensional {Schr{\"o}dinger} Equation",
journal = j-IJQC,
volume = "71",
number = "2",
pages = "147--152",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:02 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=20000022;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=20000022&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Almeida:1999:TSW,
author = "A. L. Almeida and J. B. L. Martins and C. A. Taft and
E. Longo and W. A. {Lester Jr.}",
title = "Theoretical Study of Water Coverage on {MgO}
Surfaces",
journal = j-IJQC,
volume = "71",
number = "2",
pages = "153--165",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:02 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=20000023;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=20000023&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Moule:1999:TSD,
author = "David C. Moule and Richard H. Judge and Haisheng Liu
and Edward C. Lim",
title = "Torsional symmetry dependence of {$S_1$} dynamics in
molecules that undergo methyl internal rotation",
journal = j-IJQC,
volume = "71",
number = "2",
pages = "167--176",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:02 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=20000024;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=20000024&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Yamada:1999:ECS,
author = "S. Yamada and M. Nakano and H. Nagao and K.
Yamaguchi",
title = "Electron Correlation and Structure Dependencies of the
Second Hyperpolarizability of Ethylene",
journal = j-IJQC,
volume = "71",
number = "2",
pages = "177--183",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:02 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=20000025;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=20000025&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Angulo:1999:IUB,
author = "J. C. Angulo and E. Romera",
title = "Improved Upper Bounds for the Atomic Ionization
Potential",
journal = j-IJQC,
volume = "71",
number = "2",
pages = "185--189",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:02 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "See erratum \cite{Angulo:1999:EIU}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=20000026;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=20000026&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Mishra:1999:MHD,
author = "P. C. Mishra and Anil Kumar",
title = "Modified Hybridization Displacement Charge Scheme for
{$\pi$}-Electron Systems: Study of Molecular
Electrostatic Potential Maps",
journal = j-IJQC,
volume = "71",
number = "2",
pages = "191--200",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:02 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=20000027;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=20000027&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Dai:1999:LAA,
author = "Ying Dai and Shi-liang Ding",
title = "{Lie} Algebraic Approach to Multiphoton Excitation of
Diatomic Molecules in Intense Laser Fields",
journal = j-IJQC,
volume = "71",
number = "2",
pages = "201--207",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:02 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=20000028;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=20000028&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Nicolaides:1999:ACQ,
author = "Cleanthes A. Nicolaides",
title = "On the Application of Conventional Quantum Chemistry
Methods of Computation to States Perturbed by the
Continuous Spectrum",
journal = j-IJQC,
volume = "71",
number = "2",
pages = "209--213",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:02 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=20000019;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=20000019&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Zerner:1999:BR,
author = "Michael C. Zerner",
title = "Book review",
journal = j-IJQC,
volume = "71",
number = "2",
pages = "215--215",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:02 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=20000020;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=20000020&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Lukovits:1999:RDR,
author = "I. Lukovits and S. Nikoli{\'c} and N. Trinajsti{\'c}",
title = "Resistance Distance in Regular Graphs",
journal = j-IJQC,
volume = "71",
number = "3",
pages = "217--225",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:04 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=10016708;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=10016708&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Defranceschi:1999:CME,
author = "Mireille Defranceschi and Claude Le Bris",
title = "Computing a Molecule in Its Environment: {A}
Mathematical Viewpoint",
journal = j-IJQC,
volume = "71",
number = "3",
pages = "227--250",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:04 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=10016709;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=10016709&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Shiga:1999:DHM,
author = "Motoyuki Shiga and Fumihiko Aiga and Kotoku Sasagane",
title = "Dynamic Hyperpolarizabilities in {M{\o}ller--Plesset}
Perturbation Theory",
journal = j-IJQC,
volume = "71",
number = "3",
pages = "251--271",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:04 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=10016710;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=10016710&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{El-Taher:1999:TSG,
author = "S. El-Taher",
title = "Theoretical Study on the Gas-Phase Reactivity of
Halogenated Alkylperoxyl Radicals Toward Alkenes",
journal = j-IJQC,
volume = "71",
number = "3",
pages = "273--283",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:04 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=10016711;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=10016711&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Wechsler:1999:CTH,
author = "D. Wechsler and J. Ladik",
title = "Contribution to the Theory of High-Temperature
Superconductivity in {YBa$_2$Cu$_3$O$_7$}",
journal = j-IJQC,
volume = "71",
number = "3",
pages = "285--294",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:04 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=10016712;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=10016712&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Nakano:1999:NCL,
author = "M. Nakano and S. Yamada and H. Nagao and K.
Yamaguchi",
title = "Numerical coupled {Liouville} approach: {Application}
to second hyperpolarizability of molecular aggregate",
journal = j-IJQC,
volume = "71",
number = "4",
pages = "295--306",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:07 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=10049343;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=10049343&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Jorge:1999:AAG,
author = "F. E. Jorge and E. P. Muniz",
title = "Accurate Adapted {Gaussian} Basis Sets for the Atoms
from {H} Through {Xe}",
journal = j-IJQC,
volume = "71",
number = "4",
pages = "307--312",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:07 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=10049344;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=10049344&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ge:1999:DST,
author = "Maofa Ge and Jikang Feng and Cheng Yang and Zhiru Li
and Chiachung Sun",
title = "{DFT} studies on {Ti$_n$C$_{2n}$} $(n = 1{\rm --}6)$
clusters",
journal = j-IJQC,
volume = "71",
number = "4",
pages = "313--318",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:07 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=10049345;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=10049345&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Oliva:1999:BBM,
author = "Josep M. Oliva",
title = "Bonding in Benzene Methylene Isomers: Modern {VB}
Study Using Spin-Coupled Theory",
journal = j-IJQC,
volume = "71",
number = "4",
pages = "319--327",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:07 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=10049346;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=10049346&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Yamada:1999:CSD,
author = "S. Yamada and M. Nakano and K. Yamaguchi",
title = "{CAS-SCF} and Density Functional Calculations of
Second Hyperpolarizabilities for a Nitronyl Nitroxide
Radical",
journal = j-IJQC,
volume = "71",
number = "4",
pages = "329--336",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:07 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=10049347;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=10049347&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Gurin:1999:QCQ,
author = "V. S. Gurin",
title = "Quantum chemistry of quantum size-effects in
semiconductors: {Small} clusters electronic structure
calculations",
journal = j-IJQC,
volume = "71",
number = "4",
pages = "337--341",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:07 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=10049348;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=10049348&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Davidov:1999:VDP,
author = "Genady Davidov and David Fuks and Simon Dorfman and
Genrich L. Krasko",
title = "Volume-Dependent Potential Approach for Tungsten",
journal = j-IJQC,
volume = "71",
number = "4",
pages = "343--348",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:07 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=10049349;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=10049349&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Patra:1999:CPS,
author = "S. M. Patra and S. Vishveshwara",
title = "Classification of Polymer Structures by Graph Theory",
journal = j-IJQC,
volume = "71",
number = "4",
pages = "349--356",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:07 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=10049350;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=10049350&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Monkhorst:1999:BRa,
author = "Hendrik J. Monkhorst",
title = "Book review",
journal = j-IJQC,
volume = "71",
number = "4",
pages = "357--358",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:07 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=10049351;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=10049351&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Titov:1999:GRE,
author = "A. V. Titov and N. S. Mosyagin",
title = "Generalized relativistic effective core potential:
{Theoretical} grounds",
journal = j-IJQC,
volume = "71",
number = "5",
pages = "359--401",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:09 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=10050249;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=10050249&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Aiga:1999:MCM,
author = "Fumihiko Aiga and Tsukasa Tada",
title = "Multiple Cluster Model ({MCM}) for Surface Reaction
Systems",
journal = j-IJQC,
volume = "71",
number = "5",
pages = "403--413",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:09 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=10050250;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=10050250&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Cogordan:1999:NAT,
author = "J. A. Cogordan and M. Mayoral and E. Angeles and R. A.
Toscano and R. Mart{\'\i}nez",
title = "Neuroleptic and antidepressant tricyclic compounds:
{Theoretical} study for predicting their biological
activity by semiempirical, density functional, and
{Hartree--Fock} methods",
journal = j-IJQC,
volume = "71",
number = "5",
pages = "415--432",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:09 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=10050251;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=10050251&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Kubli-Garfias:1999:CSE,
author = "Carlos Kubli-Garfias",
title = "Comparative Study of the Electronic Structure of
Pregnanolones by Ab Initio Theory",
journal = j-IJQC,
volume = "71",
number = "5",
pages = "433--440",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:09 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=10050252;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=10050252&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Monkhorst:1999:BRb,
author = "Hendrik J. Monkhorst",
title = "Book review",
journal = j-IJQC,
volume = "71",
number = "5",
pages = "441--442",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:09 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=10050253;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=10050253&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1999:VTCa,
author = "Anonymous",
title = "Volume Table of Contents",
journal = j-IJQC,
volume = "71",
number = "6",
pages = "i--??",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Thu Feb 11 07:32:34 MST 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Porras:1999:DCD,
author = "I. Porras and F. Arias De Saavedra",
title = "Description of correlated densities for few-electron
atoms by simple functional forms",
journal = j-IJQC,
volume = "71",
number = "6",
pages = "443--454",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:11 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=15000342;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=15000342&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Porras:1999:NPA,
author = "I. Porras and D. Matthew Feldmann and Frederick W.
King",
title = "{A} nonlinear programming approach to lower bounds for
the ground-state energy of helium",
journal = j-IJQC,
volume = "71",
number = "6",
pages = "455--463",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:11 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=15000343;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=15000343&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Morales:1999:TCD,
author = "J. Morales and J. J. Pe{\~n}a and G. Ovando and V.
Gaftoi",
title = "Theoretical and Computational Development ---
Generalized Potentials: Free Particle, Harmonic, and
{Morse} Partner Potentials",
journal = j-IJQC,
volume = "71",
number = "6",
pages = "465--472",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:11 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=15000344;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=15000344&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Sahni:1999:ECK,
author = "Viraht Sahni and Marlina Slamet",
title = "Electron correlations in {Kohn--Sham} exchange-only
theory",
journal = j-IJQC,
volume = "71",
number = "6",
pages = "473--480",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:11 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=15000345;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=15000345&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Jursic:1999:HLIa,
author = "Branko S. Jursic",
title = "High-Level Ab Initio Computational Study of Doublet
and Quartet Nitrogen Reaction with Methane",
journal = j-IJQC,
volume = "71",
number = "6",
pages = "481--490",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:11 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=15000346;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=15000346&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Koga:1999:AHF,
author = "Toshikatsu Koga and Katsutoshi Kanayama and Shinya
Watanabe and Ajit J. Thakkar",
title = "Analytical {Hartree--Fock} wave functions subject to
cusp and asymptotic constraints: {He} to {Xe}, {Li$^+$}
to {Cs$^+$}, {H$^-$} to {I$^-$}",
journal = j-IJQC,
volume = "71",
number = "6",
pages = "491--497",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:11 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=15000347;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=15000347&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Alikhani:1999:SVB,
author = "M. E. Alikhani",
title = "Structural, vibrational, and bonding analysis of
{M$_2$\bond{}SiO (M = Li or Ag)} using density
functional theory",
journal = j-IJQC,
volume = "71",
number = "6",
pages = "499--503",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:11 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=15000348;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=15000348&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Gomez-Jeria:1999:QCS,
author = "Juan Sebastian G{\'o}mez-Jeria and Luis
Lagos-Arancibia",
title = "Quantum-Chemical Structure-Affinity Studies on
Kynurenic Acid Derivatives as Gly\slash {NMDA} Receptor
Ligands",
journal = j-IJQC,
volume = "71",
number = "6",
pages = "505--511",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:11 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=15000349;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=15000349&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Deumens:1999:BR,
author = "Erik Deumens",
title = "Book {Review}",
journal = j-IJQC,
volume = "71",
number = "6",
pages = "513--514",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:11 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=15000350;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=15000350&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1999:VTPa,
author = "Anonymous",
title = "Volume Title Page",
journal = j-IJQC,
volume = "71",
number = "6",
pages = "515--??",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Thu Feb 11 07:32:34 MST 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Abu-Eittah:1999:EAS,
author = "Rafie H. Abu-Eittah and A. M. Al-Omar",
title = "Electronic Absorption Spectra of Some Highly Perturbed
{N}-Sulfinylanilines: Molecular Orbital Treatment",
journal = j-IJQC,
volume = "72",
number = "1",
pages = "1--13",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:13 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30002298;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30002298&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Nandel:1999:CSP,
author = "Fateh S. Nandel and Nandita Malik and Balvinder Singh
and D. V. S. Jain",
title = "Conformational structure of peptides containing
dehydroalanine: {Formation} of $\beta$-bend ribbon
structure",
journal = j-IJQC,
volume = "72",
number = "1",
pages = "15--23",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:13 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30002299;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30002299&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Lahti:1999:CSL,
author = "Ari Lahti and Matti Hotokka and Kari Neuvonen and
Gunnar Karlstr{\"o}m",
title = "A {CASSCF} study on the lowest $\pi\rightarrow\pi*$
excitation of urocanic acid",
journal = j-IJQC,
volume = "72",
number = "1",
pages = "25--37",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:13 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30002300;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30002300&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Czerwinski:1999:LDF,
author = "Marian Czerwi{\'n}ski",
title = "Local density functional theory applied to spin
coupling in {Fe$_6$S$_6$}$^{5+}$ supercluster",
journal = j-IJQC,
volume = "72",
number = "1",
pages = "39--51",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:13 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30002301;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30002301&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
xxnote = "Check title??",
}
@Article{Yan:1999:TSF,
author = "Guosen Yan and Ying Xue and Daiqian Xie",
title = "Theoretical Studies of Force Fields and {IR} Spectra
of Isocytosine",
journal = j-IJQC,
volume = "72",
number = "1",
pages = "53--60",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:13 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30002302;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30002302&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Caneschi:1999:MRP,
author = "Andrea Caneschi and Fabrizia Fabrizi de Biani and Lars
Kloo and Piero Zanello",
title = "Magnetic and Redox Properties in Hydroxo- and
Alkoxo-Bridged {Fe(III)} Binuclear Complexes: {A}
Density Functional Study",
journal = j-IJQC,
volume = "72",
number = "1",
pages = "61--71",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:13 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30002303;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30002303&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Bouzida:1999:CSL,
author = "Djamal Bouzida and Paul A. Rejto and Sandra Arthurs
and Anthony B. Colson and Stephan T. Freer and Daniel
K. Gehlhaar and Veda Larson and Brock A. Luty and Peter
W. Rose and Gennady M. Verkhivker",
title = "Computer Simulations of Ligand-Protein Binding with
Ensembles of Protein Conformations: {A} {Monte Carlo}
Study of {HIV-1} Protease Binding Energy Landscapes",
journal = j-IJQC,
volume = "72",
number = "1",
pages = "73--84",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:13 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30002304;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30002304&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ponec:1999:CBC,
author = "Robert Ponec and Ramon Carb{\'o}-Dorca",
title = "Chemical bonds from the condition of minimal pair
fluctuation: {Correlated} case",
journal = j-IJQC,
volume = "72",
number = "2",
pages = "85--91",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:16 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30002775;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30002775&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{King:1999:CAA,
author = "Frederick W. King",
title = "Convergence accelerator approach for the evaluation of
some three-electron integrals containing explicit
$r_{ij}$ factors",
journal = j-IJQC,
volume = "72",
number = "2",
pages = "93--99",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:16 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30002776;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30002776&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
xxnote = "Check title??",
}
@Article{Seto:1999:AIH,
author = "Rikuzo Seto and Ivan V. Stankevich",
title = "On an Application of the Intermediate {Hamiltonian}
Method for Molecular Systems",
journal = j-IJQC,
volume = "72",
number = "2",
pages = "101--107",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:16 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30002777;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30002777&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Zeroka:1999:ISS,
author = "Daniel Zeroka and James O. Jensen and Alan C.
Samuels",
title = "Infrared Spectra of Some Isotopomers of
Isopropylamine: {A} Theoretical Study",
journal = j-IJQC,
volume = "72",
number = "2",
pages = "109--126",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:16 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30002778;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30002778&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ponec:1999:NPP,
author = "Robert Ponec and Roberto C. Bochicchio",
title = "Nonlinear pair population analysis: {The} study of
basis-set dependence",
journal = j-IJQC,
volume = "72",
number = "2",
pages = "127--137",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:16 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30002779;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30002779&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Han:1999:TCC,
author = "Young-Kyu Han and Cheolbeom Bae and Yoon Sup Lee",
title = "Two-Component Calculations of Spin-Orbit Effects for a
{van der Waals} Molecule {Rn$_2$}",
journal = j-IJQC,
volume = "72",
number = "2",
pages = "139--143",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:16 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30002780;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30002780&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Cho:1999:IDF,
author = "Soo Gyeong Cho and Bang Sam Park",
title = "Ab initio and density functional studies on bonding
nature of the {N\bond{}N} bonds in
1,2,5-trinitroimidazole and
1,2,4,5-tetranitroimidazole",
journal = j-IJQC,
volume = "72",
number = "2",
pages = "145--154",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:16 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30002781;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30002781&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Trickey:1999:BR,
author = "S. B. Trickey",
title = "Book review",
journal = j-IJQC,
volume = "72",
number = "2",
pages = "155--156",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:16 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=30002782;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=30002782&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Melo:1999:NPS,
author = "Andr{\'e} Melo and Maria Jo{\~a}o Ramos",
title = "{A} New Partitioning Scheme for Molecular Interacting
Systems Within a Multiconfigurational or
Monoconfigurational {Hartree--Fock} Formalism",
journal = j-IJQC,
volume = "72",
number = "3",
pages = "157--176",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:18 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40003029;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40003029&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Theologitis:1999:PSH,
author = "M. Theologitis and G. C. Screttas and S. G. Raptis and
M. G. Papadopoulos",
title = "The Polarizability and the Second Hyperpolarizability
of Tetrakis(phenylethynyl)ethene and Several of Its
Lithiated Derivatives",
journal = j-IJQC,
volume = "72",
number = "3",
pages = "177--187",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:18 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40003030;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40003030&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Lu:1999:DFS,
author = "Li-Hwa Lu",
title = "Density Functional Study of Tricyclo(3,3,1,13,7)decane
and Tricyclo(3,3,1,13,7)decsilane and Their Halogen
Derivatives",
journal = j-IJQC,
volume = "72",
number = "3",
pages = "189--198",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:18 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40003031;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40003031&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Li:1999:VSN,
author = "Qian Shu Li and Au Chin Tang",
title = "Vibration Spectra and {NMR} Spectra of Octahedral
({$O_h$} and {$O$}) Fullerenes",
journal = j-IJQC,
volume = "72",
number = "3",
pages = "199--205",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:18 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40003032;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40003032&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Burrows:1999:ATC,
author = "B. L. Burrows and A. T. Amos and S. G. Davison",
title = "Approximations in the Theory of Charge Transfer
Through Bridged Systems",
journal = j-IJQC,
volume = "72",
number = "3",
pages = "207--220",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:18 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40003033;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40003033&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Xu:1999:CSB,
author = "Xin Xu and Xin L{\"u} and Nanqin Wang and Qianer Zhang
and Masahiro Ehara and Hiroshi Nakatsuji",
title = "{CASSCF} Study of Bonding in {NiCO} and {FeCO}",
journal = j-IJQC,
volume = "72",
number = "3",
pages = "221--231",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:18 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40003034;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40003034&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Rienstra-Kiracofe:1999:BR,
author = "Jonathan C. Rienstra-Kiracofe and Henry F. {Schaefer
III}",
title = "Book review",
journal = j-IJQC,
volume = "72",
number = "3",
pages = "233--234",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:18 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40003035;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40003035&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1999:LG,
author = "Anonymous",
title = "{Lionel Goodman}",
journal = j-IJQC,
volume = "72",
number = "4",
pages = "235--??",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Apr 24 09:39:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1999:PLG,
author = "Anonymous",
title = "Photo of {Lionel Goodman}",
journal = j-IJQC,
volume = "72",
number = "4",
pages = "235--235",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:20 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em In Honor of Lionel Goodman}. Issue
Edited by Michael Kasha.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006302;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006302&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Kasha:1999:ILG,
author = "Michael Kasha",
title = "Introduction: {Lionel Goodman}'s Research Career",
journal = j-IJQC,
volume = "72",
number = "4",
pages = "237--237",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:20 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em In Honor of Lionel Goodman}. Issue
Edited by Michael Kasha.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006313;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006313&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1999:BSL,
author = "Anonymous",
title = "Biographical Sketch --- {Lionel Goodman}",
journal = j-IJQC,
volume = "72",
number = "4",
pages = "239--239",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:20 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em In Honor of Lionel Goodman}. Issue
Edited by Michael Kasha.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006324;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006324&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1999:LGP,
author = "Anonymous",
title = "{Lionel Goodman} --- Publications",
journal = j-IJQC,
volume = "72",
number = "4",
pages = "241--244",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:20 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em In Honor of Lionel Goodman}. Issue
Edited by Michael Kasha.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006325;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006325&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1999:PSP,
author = "Anonymous",
title = "{PhD} Students and Post-Doctoral Fellows of {Lionel
Goodman}",
journal = j-IJQC,
volume = "72",
number = "4",
pages = "245--245",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:20 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em In Honor of Lionel Goodman}. Issue
Edited by Michael Kasha.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006326;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006326&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1999:LPa,
author = "Anonymous",
title = "List of participants",
journal = j-IJQC,
volume = "72",
number = "4",
pages = "247--247",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:20 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em In Honor of Lionel Goodman}. Issue
Edited by Michael Kasha.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006327;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006327&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Jarzecki:1999:SQM,
author = "Andrzej A. Jarz\k{e}cki and Ernest R. Davidson and
Quan Ju and Charles S. Parmenter",
title = "Scaled Quantum Mechanical Study of Vibrational Force
Field for $p$-difluorobenzene and $p$-fluorotoluene",
journal = j-IJQC,
volume = "72",
number = "4",
pages = "249--260",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:20 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em In Honor of Lionel Goodman}. Issue
Edited by Michael Kasha.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006328;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006328&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Lefebvre:1999:HFF,
author = "R. Lefebvre",
title = "High-Frequency {Floquet} Theory: Test of the
Applicability of the {Golden Rule}",
journal = j-IJQC,
volume = "72",
number = "4",
pages = "261--267",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:20 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em In Honor of Lionel Goodman}. Issue
Edited by Michael Kasha.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006329;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006329&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Badenhoop:1999:NSA,
author = "J. K. Badenhoop and F. Weinhold",
title = "Natural Steric Analysis of Internal Rotation
Barriers",
journal = j-IJQC,
volume = "72",
number = "4",
pages = "269--280",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:20 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em In Honor of Lionel Goodman}. Issue
Edited by Michael Kasha.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006330;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006330&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Monkhorst:1999:VMC,
author = "Hendrik J. Monkhorst",
title = "Views of a Molecule by Chemists and Physicists",
journal = j-IJQC,
volume = "72",
number = "4",
pages = "281--285",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:20 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em In Honor of Lionel Goodman}. Issue
Edited by Michael Kasha.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006303;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006303&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Mizobe:1999:PIP,
author = "Hideki Mizobe and Hiroko Shimada and Ryoichi Shimada",
title = "Pressure-Induced Phase Transitions of 1,2,4,5-
Tetrafluorobenzene Crystal",
journal = j-IJQC,
volume = "72",
number = "4",
pages = "287--293",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:20 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em In Honor of Lionel Goodman}. Issue
Edited by Michael Kasha.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006304;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006304&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Henseler:1999:IHC,
author = "Debora Henseler and Rupert Rebentisch and Georg
Hohlneicher",
title = "Interconversions of {$Z$}-1,3,5-hexatriene conformers:
{A} theoretical study",
journal = j-IJQC,
volume = "72",
number = "4",
pages = "295--305",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:20 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em In Honor of Lionel Goodman}. Issue
Edited by Michael Kasha.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006305;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006305&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Mebel:1999:IMO,
author = "A. M. Mebel and H. L. Lin and S. H. Lin",
title = "Ab initio molecular orbital and density functional
study of the {C$_6$ H$_6${\cdot}I$_2$} complex in the
ground and excited electronic states",
journal = j-IJQC,
volume = "72",
number = "4",
pages = "307--318",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:20 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em In Honor of Lionel Goodman}. Issue
Edited by Michael Kasha.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006306;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006306&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Babinec:1999:ISS,
author = "Peter Babinec and Jerzy Leszczynski",
title = "An ab initio study of the structures and properties of
the {XH$_4$}$^{2+}$ and {XH$_6$}$^{2+}$ ({X} = {C},
{Si}, {Ge}) dications",
journal = j-IJQC,
volume = "72",
number = "4",
pages = "319--324",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:20 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em In Honor of Lionel Goodman}. Issue
Edited by Michael Kasha.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006307;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006307&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
xxnote = "Check title??",
}
@Article{Matsen:1999:FTM,
author = "F. A. Matsen",
title = "The Freeon Theory of Molecular Magnets. {III}. The
Linear Polyene Model",
journal = j-IJQC,
volume = "72",
number = "4",
pages = "325--329",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:20 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em In Honor of Lionel Goodman}. Issue
Edited by Michael Kasha.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006308;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006308&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Cioslowski:1999:SAS,
author = "Jerzy Cioslowski and Tereza Varnali",
title = "Systematic Analysis of Substituent Effects. {II}.
Charges and Energies of Atoms in Fluorochloroethanes",
journal = j-IJQC,
volume = "72",
number = "4",
pages = "331--339",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:20 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em In Honor of Lionel Goodman}. Issue
Edited by Michael Kasha.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006309;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006309&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Philis:1999:SCB,
author = "John G. Philis and Constantine Kosmidis",
title = "Searching for the Conformers of $n$-Butylbenzene",
journal = j-IJQC,
volume = "72",
number = "4",
pages = "341--345",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:20 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em In Honor of Lionel Goodman}. Issue
Edited by Michael Kasha.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006310;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006310&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Fender:1999:VAI,
author = "Bruce J. Fender and Kurt W. Short and David K. Hahn
and Patrik R. Callis",
title = "Vibrational Assignments for Indole with the Aid of
Ultrasharp Phosphorescence Spectra",
journal = j-IJQC,
volume = "72",
number = "4",
pages = "347--356",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:20 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em In Honor of Lionel Goodman}. Issue
Edited by Michael Kasha.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006311;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006311&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Tobias:1999:QTT,
author = "Irwin Tobias",
title = "Quantum Theory of Thermal Fluctuations in {DNA}
Miniplasmids",
journal = j-IJQC,
volume = "72",
number = "4",
pages = "357--360",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:20 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em In Honor of Lionel Goodman}. Issue
Edited by Michael Kasha.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006312;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006312&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Raymond:1999:QCI,
author = "Mary K. Raymond and Josef Michl",
title = "Quantum Confinement Induced Collapse of a Large to a
Small Radius Self-Trapped Exciton in a Permethylated
Polysilane Chain",
journal = j-IJQC,
volume = "72",
number = "4",
pages = "361--367",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:20 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em In Honor of Lionel Goodman}. Issue
Edited by Michael Kasha.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006314;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006314&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Yao:1999:ONP,
author = "Xuan Yao and Sean P. McGlynn",
title = "Optogalvanism in a Neon Plasma",
journal = j-IJQC,
volume = "72",
number = "4",
pages = "369--377",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:20 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em In Honor of Lionel Goodman}. Issue
Edited by Michael Kasha.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006315;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006315&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Lowdin:1999:CBS,
author = "Per-Olov L{\"o}wdin",
title = "Connection Between Semi-Empirical and Ab Initio
Methods in the Quantum Theory of Molecular Electronic
Spectra",
journal = j-IJQC,
volume = "72",
number = "4",
pages = "379--391",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:20 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em In Honor of Lionel Goodman}. Issue
Edited by Michael Kasha.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006316;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006316&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Adams:1999:DES,
author = "William H. Adams",
title = "Definition of Eigenproblems Suited to Intermolecular
Perturbation Theory",
journal = j-IJQC,
volume = "72",
number = "4",
pages = "393--404",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:20 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em In Honor of Lionel Goodman}. Issue
Edited by Michael Kasha.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006317;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006317&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Su:1999:DFT,
author = "Ming-Der Su and San-Yan Chu",
title = "Density functional theory of {C\bond{}H} bond
activation by transition-metal complex: {A}
{($\eta^5$-C$_5$H$_5$)ML (M = Rh, Ir; L = CH$_2$, CO,
SH$_2$, PH$_3$)+CH$_4$} case study",
journal = j-IJQC,
volume = "72",
number = "4",
pages = "405--410",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:20 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em In Honor of Lionel Goodman}. Issue
Edited by Michael Kasha.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006318;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006318&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
xxnote = "Check title??",
}
@Article{Vivier-Bunge:1999:TDT,
author = "A. Vivier-Bunge and V. H. Uc and Y. G. Smeyers",
title = "Two-Dimensional Treatment of the Aldehydic Carbonyl
Torsion and Hydrogen Wagging in Gas-Phase Propanal",
journal = j-IJQC,
volume = "72",
number = "4",
pages = "411--420",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:20 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em In Honor of Lionel Goodman}. Issue
Edited by Michael Kasha.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006319;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006319&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Catalan:1999:SFI,
author = "Javier Catal{\'a}n and Juan Carlos {Del Valle} and
Cristina D{\'\i}az and Jose Palomar and Jose L. G. {De
Paz} and Michael Kasha",
title = "Solvatochromism of Fluorophores with an Intramolecular
Hydrogen Bond and Their Use as Probes in Biomolecular
Cavity Sites",
journal = j-IJQC,
volume = "72",
number = "4",
pages = "421--438",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:20 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em In Honor of Lionel Goodman}. Issue
Edited by Michael Kasha.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006320;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006320&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Zou:1999:EDC,
author = "B. S. Zou and R. B. Little and J. P. Wang and M. A.
El-Sayed",
title = "Effect of Different Capping Environments on the
Optical Properties of {CdS} Nanoparticles in Reverse
Micelles",
journal = j-IJQC,
volume = "72",
number = "4",
pages = "439--450",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:20 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em In Honor of Lionel Goodman}. Issue
Edited by Michael Kasha.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006321;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006321&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Gnanakaran:1999:EVC,
author = "S. Gnanakaran and R. M. Hochstrasser",
title = "Effect of Vibrational Coherence on Rotational Dynamics
in Solution",
journal = j-IJQC,
volume = "72",
number = "4",
pages = "451--462",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:20 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em In Honor of Lionel Goodman}. Issue
Edited by Michael Kasha.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006322;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006322&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Davis:1999:ISC,
author = "William B. Davis and Michael R. Wasielewski and Mark
A. Ratner",
title = "Influence of Substituents and Chain Length on the
Optical Properties of Poly(p-phenylenevinylene)
Oligomers",
journal = j-IJQC,
volume = "72",
number = "4",
pages = "463--471",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:20 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em In Honor of Lionel Goodman}. Issue
Edited by Michael Kasha.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006323;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006323&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Schmidt:1999:HMR,
author = "P. P. Schmidt",
title = "{Hall} Model Reaction Surface for {HCN}",
journal = j-IJQC,
volume = "72",
number = "5",
pages = "473--482",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:23 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006350;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006350&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Rylov:1999:CQC,
author = "Yu. A. Rylov",
title = "Coupled Quantum-Classical Description in the
{Schr{\"o}dinger} Representation",
journal = j-IJQC,
volume = "72",
number = "5",
pages = "483--498",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:23 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006351;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006351&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Gurskii:1999:GSP,
author = "L. I. Gurski\u{\i} and L. I. Komarov and A. M.
Solodukhin",
title = "Group of Symmetry of the Periodic System of Chemical
Elements",
journal = j-IJQC,
volume = "72",
number = "5",
pages = "499--508",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:23 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006352;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006352&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ishikawa:1999:ANM,
author = "Hideaki Ishikawa and Kazuo Yamamoto and Kazumi Fujima
and Misako Iwasawa",
title = "An Accurate Numerical Multicenter Integration for
Molecular Orbital Theory",
journal = j-IJQC,
volume = "72",
number = "5",
pages = "509--523",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:23 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006353;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006353&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Mishima:1999:TSQ,
author = "Kenji Mishima and Koichi Yamashita",
title = "{A} Theoretical Study on Quantum Control of
Photodissociation Dynamics by Ultrashort Chirped Laser
Pulses",
journal = j-IJQC,
volume = "72",
number = "5",
pages = "525--532",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:23 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006354;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006354&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Zerner:1999:BRS,
author = "Michael C. Zerner",
title = "Book Review: {{\em The Symmetric Group in Quantum
Chemistry}}, by {Ruben Pauncz}",
journal = j-IJQC,
volume = "72",
number = "5",
pages = "533--533",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:23 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006355;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006355&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Jensen:1999:BRT,
author = "Frank Jensen",
title = "Book Review: {{\em Theoretical Organic Chemistry}}, by
{C. Parkanyi}",
journal = j-IJQC,
volume = "72",
number = "5",
pages = "535--535",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:23 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=40006356;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=40006356&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1999:VTCb,
author = "Anonymous",
title = "Volume Table of Contents",
journal = j-IJQC,
volume = "72",
number = "6",
pages = "I--??",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Apr 24 09:39:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Schuch:1999:EDD,
author = "Dieter Schuch",
title = "Effective Description of the Dissipative Interaction
Between Simple Model-Systems and Their Environment",
journal = j-IJQC,
volume = "72",
number = "6",
pages = "537--547",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:25 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=50000012;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=50000012&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Dam:1999:ESC,
author = "Huub J. J. van Dam and Joop H. van Lenthe and Paul J.
A. Ruttink",
title = "Exact Size Consistency of Multireference
{M{\o}ller--Plesset} Perturbation Theory",
journal = j-IJQC,
volume = "72",
number = "6",
pages = "549--558",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:25 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=50000013;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=50000013&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Gineityte:1999:MFN,
author = "V. Gineityte",
title = "The Matrix Form of the Noncanonical Theory of
Molecular Orbitals",
journal = j-IJQC,
volume = "72",
number = "6",
pages = "559--570",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:25 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=50000014;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=50000014&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Jursic:1999:HLIb,
author = "Branko S. Jursic",
title = "High-Level Ab Initio Computational Study of Acetylene
Radical Cation and Anion Decomposition Process",
journal = j-IJQC,
volume = "72",
number = "6",
pages = "571--579",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:25 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=50000015;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=50000015&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Minaev:1999:SUE,
author = "Boris Minaev and Hans {\AA}gren",
title = "Spin Uncoupling in Ethylene Activation by Palladium
and Platinum Atoms",
journal = j-IJQC,
volume = "72",
number = "6",
pages = "581--596",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:25 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=50000016;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=50000016&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Suzuki:1999:SME,
author = "Yoshi-Ichi Suzuki",
title = "Structure of Molecular Energy Levels of Homonuclear
Diatomic Molecules",
journal = j-IJQC,
volume = "72",
number = "6",
pages = "597--604",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:25 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=50000017;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=50000017&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1999:VTPb,
author = "Anonymous",
title = "Volume Title Page",
journal = j-IJQC,
volume = "72",
number = "6",
pages = "605--??",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Sat Apr 24 09:39:55 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Faglioni:1999:GRR,
author = "Francesco Faglioni and William A. {Goddard III}",
title = "{GVB-RP}: {A} reliable {MCSCF} wave function for large
systems",
journal = j-IJQC,
volume = "73",
number = "1",
pages = "1--22",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:27 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=55001581;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=55001581&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Jansen:1999:ESO,
author = "Thomas La Cour Jansen and Sten Rettrup and C. R. Sarma
and Jaap G. Snijders and Paolo Palmieri",
title = "On the evaluation of spin-orbit coupling matrix
elements in a spin-adapted basis",
journal = j-IJQC,
volume = "73",
number = "1",
pages = "23--27",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:27 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=55001577;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=55001577&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Francisco:1999:ISS,
author = "Joseph S. Francisco",
title = "An ab initio study of the structures and energetics of
{CH$_3$ OCl} and {CH$_3$ ClO}",
journal = j-IJQC,
volume = "73",
number = "1",
pages = "29--35",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:27 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=55001578;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=55001578&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Moc:1999:KSS,
author = "Jerzy Moc",
title = "On the kinetic stability of the {SH$_3$ X} species
with {X = F, Cl}",
journal = j-IJQC,
volume = "73",
number = "1",
pages = "37--43",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:27 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=55001579;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=55001579&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Simonson:1999:DRP,
author = "Thomas Simonson",
title = "Dielectric relaxation in proteins: {Microscopic} and
macroscopic models",
journal = j-IJQC,
volume = "73",
number = "1",
pages = "45--57",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:27 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=55001580;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=55001580&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Osman:1999:I,
author = "Roman Osman and Giuliano Alagona and Caterina Ghio",
title = "Introduction",
journal = j-IJQC,
volume = "73",
number = "2",
pages = "59--60",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:29 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Biophysics Quarterly. Proceedings
of the ISQBP President's Meeting: Molecular Structure
and Dynamics in Biology, La Biodola, Elba (Italy),
September 8-11, 1998}. Issue Edited by Roman Osman,
Guiliano Alagona, Caterina Ghio.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=55003524;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=55003524&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Czaplewski:1999:GPC,
author = "Cezary Czaplewski and Marta Pasenkiewicz-Gierula and
Jerzy Ciarkowski",
title = "{G} {Protein}-coupled receptor-bioligand interactions
modeled in a phospholipid bilayer",
journal = j-IJQC,
volume = "73",
number = "2",
pages = "61--70",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:29 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Biophysics Quarterly. Proceedings
of the ISQBP President's Meeting: Molecular Structure
and Dynamics in Biology, La Biodola, Elba (Italy),
September 8-11, 1998}. Issue Edited by Roman Osman,
Guiliano Alagona, Caterina Ghio.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=55003506;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=55003506&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Fanelli:1999:TSR,
author = "Francesca Fanelli and Cristina Menziani and Alexander
Scheer and Susanna Cotecchia and Pier G. De Benedetti",
title = "Theoretical study on receptor-{G} protein recognition:
{New} insights into the mechanism of the
$\alpha$1b-adrenergic receptor activation",
journal = j-IJQC,
volume = "73",
number = "2",
pages = "71--83",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:29 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Biophysics Quarterly. Proceedings
of the ISQBP President's Meeting: Molecular Structure
and Dynamics in Biology, La Biodola, Elba (Italy),
September 8-11, 1998}. Issue Edited by Roman Osman,
Guiliano Alagona, Caterina Ghio.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=55003507;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=55003507&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Nilsson:1999:CMH,
author = "Anna M. Nilsson and Mihirinie Wijaywardene and George
Gkoutos and Keith M. Wilson and Nelson Fern{\'a}ndez
and Christopher A. Reynolds",
title = "Correlated mutations in the {HLA} class {II}
molecule",
journal = j-IJQC,
volume = "73",
number = "2",
pages = "85--96",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:29 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Biophysics Quarterly. Proceedings
of the ISQBP President's Meeting: Molecular Structure
and Dynamics in Biology, La Biodola, Elba (Italy),
September 8-11, 1998}. Issue Edited by Roman Osman,
Guiliano Alagona, Caterina Ghio.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=55003508;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=55003508&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Blaney:1999:HMI,
author = "Frank E. Blaney",
title = "Homology modeling and ab initio calculations identify
a basis for ligand selectivity for the {PPAR$\gamma$}
nuclear hormone receptor",
journal = j-IJQC,
volume = "73",
number = "2",
pages = "97--111",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:29 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Biophysics Quarterly. Proceedings
of the ISQBP President's Meeting: Molecular Structure
and Dynamics in Biology, La Biodola, Elba (Italy),
September 8-11, 1998}. Issue Edited by Roman Osman,
Guiliano Alagona, Caterina Ghio.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=55003509;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=55003509&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Bouzida:1999:MCS,
author = "Djamal Bouzida and Paul A. Rejto and Gennady M.
Verkhivker",
title = "{Monte Carlo} study of ligand-protein binding energy
landscapes with the weighted histogram analysis
method",
journal = j-IJQC,
volume = "73",
number = "2",
pages = "113--121",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:29 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Biophysics Quarterly. Proceedings
of the ISQBP President's Meeting: Molecular Structure
and Dynamics in Biology, La Biodola, Elba (Italy),
September 8-11, 1998}. Issue Edited by Roman Osman,
Guiliano Alagona, Caterina Ghio.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=55003510;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=55003510&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Keseru:1999:ICP,
author = "Gy{\"o}rgy M. Keser{\"u} and Istv{\'a}n Kolossv{\'a}ry
and Istv{\'a}n Sz{\'e}kely",
title = "Inhibitors of cytochrome {P450} catalyzed insecticide
metabolism: {A} rational approach",
journal = j-IJQC,
volume = "73",
number = "2",
pages = "123--135",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:29 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Biophysics Quarterly. Proceedings
of the ISQBP President's Meeting: Molecular Structure
and Dynamics in Biology, La Biodola, Elba (Italy),
September 8-11, 1998}. Issue Edited by Roman Osman,
Guiliano Alagona, Caterina Ghio.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=55003511;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=55003511&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Hadfield:1999:ASD,
author = "Andrea T. Hadfield and Adrian J. Mulholland",
title = "Active-site dynamics of {ASADH-A} bacterial
biosynthetic enzyme",
journal = j-IJQC,
volume = "73",
number = "2",
pages = "137--146",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:29 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Biophysics Quarterly. Proceedings
of the ISQBP President's Meeting: Molecular Structure
and Dynamics in Biology, La Biodola, Elba (Italy),
September 8-11, 1998}. Issue Edited by Roman Osman,
Guiliano Alagona, Caterina Ghio.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=55003512;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=55003512&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Kolmodin:1999:CMC,
author = "Karin Kolmodin and Johan {\AA}qvist",
title = "Computational modeling of catalysis and binding in
low-molecular-weight protein tyrosine phosphatase",
journal = j-IJQC,
volume = "73",
number = "2",
pages = "147--159",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:29 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Biophysics Quarterly. Proceedings
of the ISQBP President's Meeting: Molecular Structure
and Dynamics in Biology, La Biodola, Elba (Italy),
September 8-11, 1998}. Issue Edited by Roman Osman,
Guiliano Alagona, Caterina Ghio.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=55003513;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=55003513&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Dive:1999:SPC,
author = "G. Dive and D. Dehareng",
title = "Serine peptidase catalytic machinery: {Cooperative}
one-step mechanism",
journal = j-IJQC,
volume = "73",
number = "2",
pages = "161--174",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:29 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Biophysics Quarterly. Proceedings
of the ISQBP President's Meeting: Molecular Structure
and Dynamics in Biology, La Biodola, Elba (Italy),
September 8-11, 1998}. Issue Edited by Roman Osman,
Guiliano Alagona, Caterina Ghio.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=55003514;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=55003514&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Alagona:1999:ISP,
author = "Giuliano Alagona and Caterina Ghio and Susanna Monti",
title = "Ab initio study of preferential interactions between
aromatic side chains",
journal = j-IJQC,
volume = "73",
number = "2",
pages = "175--186",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:29 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Biophysics Quarterly. Proceedings
of the ISQBP President's Meeting: Molecular Structure
and Dynamics in Biology, La Biodola, Elba (Italy),
September 8-11, 1998}. Issue Edited by Roman Osman,
Guiliano Alagona, Caterina Ghio.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=55003515;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=55003515&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Gioia:1999:IIS,
author = "L. De Gioia and P. Fantucci and B. Guigliarelli and P.
Bertrand",
title = "Ab initio investigation of the structural and
electronic differences between active-site models of
{[NiFe]} and {[NiFeSe]} hydrogenases",
journal = j-IJQC,
volume = "73",
number = "2",
pages = "187--195",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:29 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Biophysics Quarterly. Proceedings
of the ISQBP President's Meeting: Molecular Structure
and Dynamics in Biology, La Biodola, Elba (Italy),
September 8-11, 1998}. Issue Edited by Roman Osman,
Guiliano Alagona, Caterina Ghio.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=55003516;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=55003516&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Pavlov:1999:NAH,
author = "Maria Pavlov and Margareta R. A. Blomberg and Per E.
M. Siegbahn",
title = "New aspects of {H$_2$} activation by nickel-iron
hydrogenase",
journal = j-IJQC,
volume = "73",
number = "2",
pages = "197--207",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:29 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Biophysics Quarterly. Proceedings
of the ISQBP President's Meeting: Molecular Structure
and Dynamics in Biology, La Biodola, Elba (Italy),
September 8-11, 1998}. Issue Edited by Roman Osman,
Guiliano Alagona, Caterina Ghio.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=55003517;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=55003517&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Rothlisberger:1999:IMD,
author = "Ursula Rothlisberger and Paolo Carloni",
title = "Ab initio molecular dynamics studies of a synthetic
biomimetic model of galactose oxidase",
journal = j-IJQC,
volume = "73",
number = "2",
pages = "209--218",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:29 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Biophysics Quarterly. Proceedings
of the ISQBP President's Meeting: Molecular Structure
and Dynamics in Biology, La Biodola, Elba (Italy),
September 8-11, 1998}. Issue Edited by Roman Osman,
Guiliano Alagona, Caterina Ghio.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=55003518;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=55003518&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Rega:1999:TER,
author = "Nadia Rega and Maurizio Cossi and Vincenzo Barone and
Christian Silvio Pomelli and Jacopo Tomasi",
title = "Toward an effective and reliable representation of
solvent effects in the study of biochemical systems",
journal = j-IJQC,
volume = "73",
number = "2",
pages = "219--227",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:29 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Biophysics Quarterly. Proceedings
of the ISQBP President's Meeting: Molecular Structure
and Dynamics in Biology, La Biodola, Elba (Italy),
September 8-11, 1998}. Issue Edited by Roman Osman,
Guiliano Alagona, Caterina Ghio.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=55003519;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=55003519&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Wu:1999:SPD,
author = "Jian Hui Wu and Peter J. Winn and Gy{\"o}rgy G.
Ferenczy and Christopher A. Reynolds",
title = "Solute polarization and the design of cobalt complexes
as redox-active therapeutic agents",
journal = j-IJQC,
volume = "73",
number = "2",
pages = "229--236",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:29 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Biophysics Quarterly. Proceedings
of the ISQBP President's Meeting: Molecular Structure
and Dynamics in Biology, La Biodola, Elba (Italy),
September 8-11, 1998}. Issue Edited by Roman Osman,
Guiliano Alagona, Caterina Ghio.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=55003520;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=55003520&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Henriques:1999:CAS,
author = "Elsa S. Henriques and Margarida Bastos and Carlos F.
G. C. Geraldes and Maria Jo{\~a}o Ramos",
title = "Computational approaches to the study of some
lanthanide {(III)-polyazamacrocyclic} chelates for
magnetic resonance imaging",
journal = j-IJQC,
volume = "73",
number = "2",
pages = "237--248",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:29 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Biophysics Quarterly. Proceedings
of the ISQBP President's Meeting: Molecular Structure
and Dynamics in Biology, La Biodola, Elba (Italy),
September 8-11, 1998}. Issue Edited by Roman Osman,
Guiliano Alagona, Caterina Ghio.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=55003521;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=55003521&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Pogni:1999:LAH,
author = "Rebecca Pogni and Giovanni Della Lunga and Elena Busi
and Riccardo Basosi",
title = "Lineshape analysis of heme-protein-derived radicals
based on simulation of {EPR} spectra",
journal = j-IJQC,
volume = "73",
number = "2",
pages = "249--254",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:29 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Biophysics Quarterly. Proceedings
of the ISQBP President's Meeting: Molecular Structure
and Dynamics in Biology, La Biodola, Elba (Italy),
September 8-11, 1998}. Issue Edited by Roman Osman,
Guiliano Alagona, Caterina Ghio.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=55003522;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=55003522&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1999:LPb,
author = "Anonymous",
title = "List of {Participants}",
journal = j-IJQC,
volume = "73",
number = "2",
pages = "255--263",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:29 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Biophysics Quarterly. Proceedings
of the ISQBP President's Meeting: Molecular Structure
and Dynamics in Biology, La Biodola, Elba (Italy),
September 8-11, 1998}. Issue Edited by Roman Osman,
Guiliano Alagona, Caterina Ghio.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=55003523;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=55003523&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Chiu:1999:FTS,
author = "Lue-Yung Chow Chiu and Mohammad Moharerrzadeh",
title = "{Fourier} transform of spherical {Laguerre Gaussian}
functions and its application in molecular integrals",
journal = j-IJQC,
volume = "73",
number = "3",
pages = "265--273",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:32 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=55003694;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=55003694&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Wojcik:1999:STS,
author = "Marek J. W{\'o}jcik and Marek Boczar and Marzena
Stoma",
title = "Spectroscopic and theoretical study of vibrational
spectra of hydrogen-bonded tropolone",
journal = j-IJQC,
volume = "73",
number = "3",
pages = "275--282",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:32 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=55003695;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=55003695&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Chen:1999:AEI,
author = "Jin-Quan Chen and Xiang-Jun Xin and Peng-Dong Fan and
Jia-Lun Ping",
title = "Algebraic expressions of irreducible bases for
molecules {C$_{20}$ H$_{20}$}, {C$_{80}$}, and
{C$_{240}$}",
journal = j-IJQC,
volume = "73",
number = "3",
pages = "283--297",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:32 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=55003696;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=55003696&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Jursic:1999:HLIc,
author = "Branko S. Jursic",
title = "High level of ab initio and density functional theory
evaluation of the {C\bond{}O} bond dissociation
energies in the dimethyl ether anion",
journal = j-IJQC,
volume = "73",
number = "3",
pages = "299--306",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:32 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=55003697;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=55003697&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Kumar:1999:DLR,
author = "Anil Kumar and Bidhan C. Saha and Ali A. Khan and
Vijay Kumar and Sunil K. Verma and Krishna K. Prasad",
title = "Depopulation of low-{Rydberg Na} atom in collisions
with rare gases: {A} molecular-state treatment",
journal = j-IJQC,
volume = "73",
number = "3",
pages = "307--316",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:32 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=55003698;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=55003698&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Mendizabal:1999:TSA,
author = "Fernando Mendizabal",
title = "Theoretical study of the {Au}-ethylene interaction",
journal = j-IJQC,
volume = "73",
number = "3",
pages = "317--324",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:32 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=55003699;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=55003699&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Fakhreddine:1999:BSC,
author = "Khaled Fakhreddine and Hafez Kobeissi and Mahmoud
Korek",
title = "Bound states of the coupled-channel {Schr{\"o}dinger}
equation: {General} eigenvalue function",
journal = j-IJQC,
volume = "73",
number = "4",
pages = "325--332",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:34 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=61000536;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=61000536&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Magnasco:1999:NTM,
author = "Valerio Magnasco and Arnaldo Rapallo and Massimo
Casanova",
title = "New translation method for {STOs} and its application
to calculation of overlap integrals",
journal = j-IJQC,
volume = "73",
number = "4",
pages = "333--340",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:34 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=61000529;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=61000529&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Planelles:1999:AOE,
author = "J. Planelles and J. Karwowski and W. Jask{\'o}lski",
title = "Adaptation of one-electron basis sets to spatial
confinements",
journal = j-IJQC,
volume = "73",
number = "4",
pages = "341--347",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:34 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=61000530;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=61000530&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Chen:1999:TSSa,
author = "Cheng Chen and Shuang-Fuh Shyu",
title = "Theoretical study of single-bonded nitrogen
cluster-type molecules",
journal = j-IJQC,
volume = "73",
number = "4",
pages = "349--356",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:34 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=61000531;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=61000531&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Wang:1999:CSS,
author = "Youliang Wang and John R. Gunn",
title = "Computational study of structures and proton transfer
in hydrogen-bonded ammonia complexes using
semiempirical valence-bond approach",
journal = j-IJQC,
volume = "73",
number = "4",
pages = "357--367",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:34 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=61000532;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=61000532&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Gutowski:1999:FPD,
author = "Maciej Gutowski",
title = "Favorable performance of the {DFT} methods in
predicting the minimum-energy structure of the lowest
triplet state of {WF$_4$}",
journal = j-IJQC,
volume = "73",
number = "4",
pages = "369--375",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:34 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=61000533;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=61000533&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Lu:1999:CCB,
author = "Xin L{\"u} and Xin Xu and Nanqin Wang and Qianer
Zhang",
title = "Convergence from clusters to the bulk solid: {Ab}
initio calculations of {(MgO)$_x$} $(x = 2{\rm --}16)$
clusters",
journal = j-IJQC,
volume = "73",
number = "4",
pages = "377--386",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:34 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=61000534;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=61000534&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Micha:1999:BR,
author = "David A. Micha",
title = "Book review",
journal = j-IJQC,
volume = "73",
number = "4",
pages = "387--388",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:34 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=61000535;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=61000535&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Sarma:1999:GAC,
author = "C. R. Sarma and Dipan K. Ghosh and C. Y. Kadolkar",
title = "Graphical approach to correlations in high-spin
systems",
journal = j-IJQC,
volume = "73",
number = "5",
pages = "389--393",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:36 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=61004337;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=61004337&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Zaitsevskii:1999:DFS,
author = "Andr{\'e}i Zaitsevskii and Renzo Cimiraglia",
title = "Diagrammatic formulation of the second-order many-body
multipartitioning perturbation theory",
journal = j-IJQC,
volume = "73",
number = "5",
pages = "395--401",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:36 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=61004330;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=61004330&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Smit:1999:MIP,
author = "Michael J. Smit",
title = "Multicenter integrals over polarization potential
operators",
journal = j-IJQC,
volume = "73",
number = "5",
pages = "403--416",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:36 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=61004331;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=61004331&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Chen:1999:TSR,
author = "Xian-Yang Chen and Tao Wu and Quan Ju and Jie Ma and
Guan-Zhi Ju",
title = "Theoretical study of reactions between
{AlH($^1\Sigma$)} and {HF} molecule",
journal = j-IJQC,
volume = "73",
number = "5",
pages = "417--424",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:36 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=61004332;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=61004332&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Bulut:1999:QWP,
author = "Niyazi Bulut and Abdulkadir Yildiz and Fahrettin
G{\"o}gta\c{s} and Sinan Akpinar",
title = "Quantum wave packet study of {O($^1$D) $+$ HCl($v$)
$\rightarrow$ ClO($v\prime$) $+$ H} reaction",
journal = j-IJQC,
volume = "73",
number = "5",
pages = "425--432",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:36 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=61004333;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=61004333&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Wu:1999:CCB,
author = "Z. J. Wu and S. Y. Zhang",
title = "Calculation of chemical bond parameters in
{La$_{1-x}$}{Ca$_x$CrO$_3$} $(0.0 \leq x \leq 0.3)$",
journal = j-IJQC,
volume = "73",
number = "5",
pages = "433--437",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:36 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=61004334;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=61004334&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Huang:1999:QCA,
author = "L. Huang and L. Massa and J. Karle",
title = "Quantum crystallography applied to crystalline maleic
anhydride",
journal = j-IJQC,
volume = "73",
number = "5",
pages = "439--450",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:36 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=61004335;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=61004335&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Jursic:1999:HDF,
author = "Branko S. Jursic",
title = "Hybrid density functional theory study of hydrogen
cluster aromaticity by computing their relative
energies and magnetic properties",
journal = j-IJQC,
volume = "73",
number = "5",
pages = "451--458",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:36 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=61004336;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=61004336&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Whitkop:1999:IEC,
author = "Peter G. Whitkop",
title = "Integral evaluation in the case of a helium atom
positioned off-center in a spherical box",
journal = j-IJQC,
volume = "73",
number = "6",
pages = "459--467",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:39 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=61007370;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=61007370&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Mondal:1999:MQD,
author = "Chandan Kumar Mondal and Pinaki Chaudhury and S. P.
Bhattacharyya",
title = "Modeling quantum dynamics of photodetachment from
closed-shell anions: {Static} versus fluctuating
well-depth models",
journal = j-IJQC,
volume = "73",
number = "6",
pages = "469--478",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:39 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=61007364;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=61007364&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Simos:1999:HAO,
author = "T. E. Simos",
title = "High algebraic order explicit methods with reduced
phase-lag for an efficient solution of the
{Schr{\"o}dinger} equation",
journal = j-IJQC,
volume = "73",
number = "6",
pages = "479--496",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:39 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=61007365;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=61007365&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Sinha:1999:WMQ,
author = "Anjana Sinha and Rajkumar Roychoudhury",
title = "{WKB} and {MAF} quantization rules for spatially
confined quantum mechanical systems",
journal = j-IJQC,
volume = "73",
number = "6",
pages = "497--504",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:39 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=61007366;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=61007366&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Tang:1999:TSS,
author = "Auchin Tang and Zhenfeng Shang and Qiwen Teng and
Yinming Pan and Zunsheng Cai and Xuezhuang Zhao and
Jikang Feng",
title = "Theoretical study on the structures and electron
spectra of {C$_{60}$ M$_{12}$ (M = Li, Na, Be)}",
journal = j-IJQC,
volume = "73",
number = "6",
pages = "505--509",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:39 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=61007367;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=61007367&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Cheranovskii:1999:EDG,
author = "V. O. Cheranovskii and E. V. Ezerskaya and O. A.
Zhikol and A. Kinal and H. O. Pamuk",
title = "Effect of doping on the ground-state spin of stacked
organometallic ferromagnets",
journal = j-IJQC,
volume = "73",
number = "6",
pages = "511--517",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:39 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=61007368;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=61007368&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Angulo:1999:EIU,
author = "J. C. Angulo and E. Romera",
title = "Erratum: {Improved} upper bounds for the atomic
ionization potential",
journal = j-IJQC,
volume = "73",
number = "6",
pages = "519--519",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:39 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "See \cite{Angulo:1999:IUB}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=61007369;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=61007369&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Xu:1999:AEC,
author = "Wei-Xing Xu",
title = "The antiparallel electron correlation coefficient and
{Coulomb} hole structure",
journal = j-IJQC,
volume = "74",
number = "1",
pages = "1--6",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:41 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62000140;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62000140&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Fan:1999:ASO,
author = "Peng-Dong Fan and Jin-Quan Chen",
title = "Algebraic solutions for the octahedral group: {Group}
chain {$O\supset C_4$}",
journal = j-IJQC,
volume = "74",
number = "1",
pages = "7--22",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:41 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62000134;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62000134&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Bertini:1999:LEC,
author = "Luca Bertini and Dario Bressanini and Massimo Mella
and Gabriele Morosi",
title = "Linear expansions of correlated functions:
{Variational Monte Carlo} case study",
journal = j-IJQC,
volume = "74",
number = "1",
pages = "23--33",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:41 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62000135;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62000135&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Rather:1999:PEM,
author = "Gerd R{\"a}ther and Yuriko Aoki and Akira Imamura",
title = "Performance of the elongation method with larger basis
sets",
journal = j-IJQC,
volume = "74",
number = "1",
pages = "35--47",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:41 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62000136;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62000136&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Roche:1999:NIK,
author = "Michel Roche",
title = "Numerical integration of the {Kohn--Sham} equations:
{Integral} method for bound states",
journal = j-IJQC,
volume = "74",
number = "1",
pages = "49--54",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:41 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62000137;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62000137&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Kunne:1999:RBD,
author = "L. K{\"u}nne",
title = "Relations between {DFT} and {CI} approximation",
journal = j-IJQC,
volume = "74",
number = "1",
pages = "55--58",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:41 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62000138;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62000138&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Amovilli:1999:TMS,
author = "Claudio Amovilli and Franca Maria Floris and Benedetta
Mennucci",
title = "Theoretical modeling of the symmetric $({C}_{2v})$
electrophilic attachment of chlorine to ethylene in
aqueous solution",
journal = j-IJQC,
volume = "74",
number = "1",
pages = "59--67",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:41 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62000139;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62000139&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1999:JG,
author = "Anonymous",
title = "{J. Gerratt}",
journal = j-IJQC,
volume = "74",
number = "2",
pages = "69--69",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Quantum Theory of Chemical
Bonding: Special Issue in Memory of Joseph Gerratt}.
Issue Edited by S. Wilson, M. Raimondi, D. L. Cooper.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62003371;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62003371&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Wilson:1999:JG,
author = "S. Wilson and M. Raimondi and D. L. Cooper",
title = "{J. Gerratt}, 1938--1997",
journal = j-IJQC,
volume = "74",
number = "2",
pages = "71--76",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Quantum Theory of Chemical
Bonding: Special Issue in Memory of Joseph Gerratt}.
Issue Edited by S. Wilson, M. Raimondi, D. L. Cooper.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62003351;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62003351&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1999:SPJ,
author = "Anonymous",
title = "Scientific publications of {J}. {Gerratt}",
journal = j-IJQC,
volume = "74",
number = "2",
pages = "77--81",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Quantum Theory of Chemical
Bonding: Special Issue in Memory of Joseph Gerratt}.
Issue Edited by S. Wilson, M. Raimondi, D. L. Cooper.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62003352;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62003352&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Gerratt:1999:SCW,
author = "J. Gerratt and W. N. Lipscomb",
title = "Spin-coupled wave functions for atoms and molecules",
journal = j-IJQC,
volume = "74",
number = "2",
pages = "83--85",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Quantum Theory of Chemical
Bonding: Special Issue in Memory of Joseph Gerratt}.
Issue Edited by S. Wilson, M. Raimondi, D. L. Cooper.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62003353;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62003353&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{McWeeny:1999:IFC,
author = "Roy McWeeny",
title = "An ab initio form of classical valence-bond theory",
journal = j-IJQC,
volume = "74",
number = "2",
pages = "87--96",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Quantum Theory of Chemical
Bonding: Special Issue in Memory of Joseph Gerratt}.
Issue Edited by S. Wilson, M. Raimondi, D. L. Cooper.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62003354;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62003354&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{McNicholas:1999:SSC,
author = "S. J. McNicholas and F. R. Manby",
title = "State-selective core-optimized spin-coupled theory",
journal = j-IJQC,
volume = "74",
number = "2",
pages = "97--102",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Quantum Theory of Chemical
Bonding: Special Issue in Memory of Joseph Gerratt}.
Issue Edited by S. Wilson, M. Raimondi, D. L. Cooper.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62003355;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62003355&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Parry:1999:SRC,
author = "David E. Parry",
title = "A${\Sigma}^+\notlongleftrightarrow{\Sigma}^-$
selection rule for the collisions of some atomic ions
with diatomic molecules",
journal = j-IJQC,
volume = "74",
number = "2",
pages = "103--108",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Quantum Theory of Chemical
Bonding: Special Issue in Memory of Joseph Gerratt}.
Issue Edited by S. Wilson, M. Raimondi, D. L. Cooper.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62003356;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62003356&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Sutcliffe:1999:BOC,
author = "Brian T. Sutcliffe",
title = "The {Born--Oppenheimer} correction terms for a
triatomic system in the {Sutcliffe--Tennyson}
formulation",
journal = j-IJQC,
volume = "74",
number = "2",
pages = "109--121",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Quantum Theory of Chemical
Bonding: Special Issue in Memory of Joseph Gerratt}.
Issue Edited by S. Wilson, M. Raimondi, D. L. Cooper.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62003357;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62003357&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Meller:1999:SDM,
author = "Jaros{\l}aw Meller and W{\l}odzis{\l}aw Duch",
title = "{SGA} derivation of matrix elements between
spin-adapted perturbative wave functions",
journal = j-IJQC,
volume = "74",
number = "2",
pages = "123--133",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Quantum Theory of Chemical
Bonding: Special Issue in Memory of Joseph Gerratt}.
Issue Edited by S. Wilson, M. Raimondi, D. L. Cooper.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62003358;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62003358&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Wilson:1999:AHO,
author = "S. Wilson",
title = "On the application of hierarchical orthogonality
restrictions to spin-coupled wave functions",
journal = j-IJQC,
volume = "74",
number = "2",
pages = "135--144",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Quantum Theory of Chemical
Bonding: Special Issue in Memory of Joseph Gerratt}.
Issue Edited by S. Wilson, M. Raimondi, D. L. Cooper.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62003359;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62003359&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Sironi:1999:NPO,
author = "M. Sironi",
title = "A new procedure to optimize core orbitals in the
spin-coupled wave function",
journal = j-IJQC,
volume = "74",
number = "2",
pages = "145--151",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Quantum Theory of Chemical
Bonding: Special Issue in Memory of Joseph Gerratt}.
Issue Edited by S. Wilson, M. Raimondi, D. L. Cooper.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62003360;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62003360&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Chaudhury:1999:BSS,
author = "Pinaki Chaudhury and S. P. Bhattacharyya",
title = "Bound states in screened and bare {Coulomb}
potentials: {A} nonorthogonal {CI}-based route to
effective {Hamiltonians} for two-electron systems",
journal = j-IJQC,
volume = "74",
number = "2",
pages = "153--161",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Quantum Theory of Chemical
Bonding: Special Issue in Memory of Joseph Gerratt}.
Issue Edited by S. Wilson, M. Raimondi, D. L. Cooper.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62003361;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62003361&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{March:1999:MET,
author = "N. H. March",
title = "Many-electron theory: {Density} functional approach
generalized to treat spin eigenfunctions and relation
to spinless low-order density matrices",
journal = j-IJQC,
volume = "74",
number = "2",
pages = "163--176",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Quantum Theory of Chemical
Bonding: Special Issue in Memory of Joseph Gerratt}.
Issue Edited by S. Wilson, M. Raimondi, D. L. Cooper.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62003362;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62003362&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Li:1999:SDE,
author = "Xiangzhu Li and Josef Paldus",
title = "Size dependence of the {$X^1A_g \rightarrow 1^1B_u$}
excitation energy in linear polyenes",
journal = j-IJQC,
volume = "74",
number = "2",
pages = "177--192",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Quantum Theory of Chemical
Bonding: Special Issue in Memory of Joseph Gerratt}.
Issue Edited by S. Wilson, M. Raimondi, D. L. Cooper.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62003363;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62003363&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Baccarelli:1999:SSE,
author = "I. Baccarelli and F. A. Gianturco and F. Schneider",
title = "Spatial structures and electronic excited states of
small protonated helium clusters",
journal = j-IJQC,
volume = "74",
number = "2",
pages = "193--212",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Quantum Theory of Chemical
Bonding: Special Issue in Memory of Joseph Gerratt}.
Issue Edited by S. Wilson, M. Raimondi, D. L. Cooper.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62003364;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62003364&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Dijkstra:1999:ABB,
author = "Fokke Dijkstra and Joop H. {Van Lenthe}",
title = "Aromaticity of bent benzene rings: {A VBSCF} study",
journal = j-IJQC,
volume = "74",
number = "2",
pages = "213--221",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Quantum Theory of Chemical
Bonding: Special Issue in Memory of Joseph Gerratt}.
Issue Edited by S. Wilson, M. Raimondi, D. L. Cooper.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62003365;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62003365&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ogliaro:1999:BBV,
author = "Fran{\c{c}}ois Ogliaro and David L. Cooper and Peter
B. Karadakov",
title = "Bent-bond versus separated-bond models: {A}
spin-coupled survey for a few organic and inorganic
systems",
journal = j-IJQC,
volume = "74",
number = "2",
pages = "223--229",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Quantum Theory of Chemical
Bonding: Special Issue in Memory of Joseph Gerratt}.
Issue Edited by S. Wilson, M. Raimondi, D. L. Cooper.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62003366;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62003366&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Thorsteinsson:1999:SCI,
author = "T. Thorsteinsson and A. Famulari and M. Raimondi",
title = "A spin-coupled investigation of the electrophilic
addition of hydrochloric acid to ethylene",
journal = j-IJQC,
volume = "74",
number = "2",
pages = "231--239",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Quantum Theory of Chemical
Bonding: Special Issue in Memory of Joseph Gerratt}.
Issue Edited by S. Wilson, M. Raimondi, D. L. Cooper.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62003367;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62003367&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Kaplan:1999:NBS,
author = "I. G. Kaplan",
title = "Nature of binding in small metal clusters",
journal = j-IJQC,
volume = "74",
number = "2",
pages = "241--247",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Quantum Theory of Chemical
Bonding: Special Issue in Memory of Joseph Gerratt}.
Issue Edited by S. Wilson, M. Raimondi, D. L. Cooper.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62003368;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62003368&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Raos:1999:RBA,
author = "Guido Raos and Pietro Bielli and Elena Tornaghi",
title = "Rotational barriers of amides and polyisocyanates: {A}
spin-coupled study",
journal = j-IJQC,
volume = "74",
number = "2",
pages = "249--258",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Quantum Theory of Chemical
Bonding: Special Issue in Memory of Joseph Gerratt}.
Issue Edited by S. Wilson, M. Raimondi, D. L. Cooper.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62003369;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62003369&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Raimondi:1999:SCS,
author = "M. Raimondi and A. Famulari and E. Gianinetti",
title = "Spin-coupled study of hydrogen-bonded systems: {The
Nucleic Acid Pairs}",
journal = j-IJQC,
volume = "74",
number = "2",
pages = "259--269",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:43 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Quantum Theory of Chemical
Bonding: Special Issue in Memory of Joseph Gerratt}.
Issue Edited by S. Wilson, M. Raimondi, D. L. Cooper.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62003370;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62003370&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Kushwaha:1999:CDM,
author = "P. S. Kushwaha and Anil Kumar and P. C. Mishra",
title = "Charge distributions and molecular electrostatic
potentials around amino acids: {Usefulness} of
hybridization displacement charge",
journal = j-IJQC,
volume = "74",
number = "3",
pages = "271--289",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:46 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Biophysics Quarterly}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62004768;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62004768&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Trindle:1999:MVS,
author = "Carl Trindle and Mark Braiman and Amy Beth Prager",
title = "Modeling vibrational spectra of amino acid side chains
in proteins: {Effects} of chloride and bromide
counterions on ethylguanidino vibrational frequencies",
journal = j-IJQC,
volume = "74",
number = "3",
pages = "291--297",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:46 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Biophysics Quarterly}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62004759;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62004759&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ramos:1999:MEI,
author = "Maria Jo{\~a}o Ramos and Andr{\'e} Melo and Elsa S.
Henriques and Jos{\'e} A. N. F. Gomes and Nathalie
Reuter and Bernard Maigret and Wely B. Floriano and
Marco A. C. Nascimento",
title = "Modeling enzyme-inhibitor interactions in serine
proteases",
journal = j-IJQC,
volume = "74",
number = "3",
pages = "299--314",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:46 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Biophysics Quarterly}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62004760;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62004760&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Wang:1999:TSP,
author = "Qin Mi Wang and Hua Liang Jiang and Kai Xian Chen and
Ru Yun Ji and Yuan-Jie Ye",
title = "Theoretical studies on the possible reaction pathway
for the deacylation of the {AChE}-catalyzed reaction",
journal = j-IJQC,
volume = "74",
number = "3",
pages = "315--325",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:46 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Biophysics Quarterly}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62004761;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62004761&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Kakkar:1999:ASP,
author = "Rita Kakkar and Vandana Katoch",
title = "{AM1} study of proton-transfer reactions of barbituric
acid",
journal = j-IJQC,
volume = "74",
number = "3",
pages = "327--336",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:46 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Biophysics Quarterly}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62004762;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62004762&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Zhang:1999:TMA,
author = "Shao-Wen Zhang and Fu-Chu He",
title = "Thermolysis mechanism of {$N$}-acetylpropanamide",
journal = j-IJQC,
volume = "74",
number = "3",
pages = "337--342",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:46 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Biophysics Quarterly}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62004763;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62004763&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Slanina:1999:BAF,
author = "Zden\v{e}k Slanina and Xiang Zhao and Long Y. Chiang
and Eiji \={O}sawa",
title = "Biologically active fullerene derivatives:
{Computations} of structures, energetics, and
vibrations of {C$_{60}$ (OH)$_x$} and
{C$_{60}$(NO$_2$)$_y$}",
journal = j-IJQC,
volume = "74",
number = "3",
pages = "343--349",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:46 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Biophysics Quarterly}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62004764;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62004764&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Baeten:1999:UHP,
author = "A. Baeten and M. Tafazoli and M. Kirsch-Volders and P.
Geerlings",
title = "Use of the {HSAB} principle in quantitative
structure-activity relationships in toxicological
research: {Application} to the genotoxicity of
chlorinated hydrocarbons",
journal = j-IJQC,
volume = "74",
number = "3",
pages = "351--355",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:46 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Biophysics Quarterly}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62004765;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62004765&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Datta:1999:TEE,
author = "S. N. Datta and Deepak Shah",
title = "Transport of excitation energy in a three-dimensional
doped molecular aggregate. {VII}. {Physical} chemistry
of exciton processes in thylakoid membrane",
journal = j-IJQC,
volume = "74",
number = "3",
pages = "357--370",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:46 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Biophysics Quarterly}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62004766;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62004766&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Gkoutos:1999:EDA,
author = "George V. Gkoutos and Christopher Higgs and Robert P.
Bywater and Paul R. Gouldson and Christopher A.
Reynolds",
title = "Evidence for dimerization in the $\beta_2$-adrenergic
receptor from the evolutionary trace method",
journal = j-IJQC,
volume = "74",
number = "3",
pages = "371--379",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:46 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em Biophysics Quarterly}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62004767;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62004767&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Belousov:1999:IPM,
author = "A. V. Belousov and V. A. Kovarsky and B. S.
Yastrebov",
title = "Influence of the polar medium fluctuation on the
nonradiative electron transfer in molecules",
journal = j-IJQC,
volume = "74",
number = "4",
pages = "381--386",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62502088;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62502088&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Perez:1999:BSE,
author = "Patricia P{\'e}rez and Gerald Zapata-Torres and Julia
Parra-Mouchet and Renato Contreras",
title = "Basicity and solvent effects on hydrogen bonding in
{NR$_3\cdots$HCOOH (R $=$ H, CH$_3$)} model systems",
journal = j-IJQC,
volume = "74",
number = "4",
pages = "387--394",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62502082;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62502082&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Chen:1999:TSSb,
author = "Cheng Chen and Shuang-Fuh Shyu and Fu-Sheng Hsu",
title = "Theoretical study of salicylaldehyde conformal isomers
and their intramolecular oxygen and hydrogen
relations",
journal = j-IJQC,
volume = "74",
number = "4",
pages = "395--404",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62502083;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62502083&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Xiao:1999:REG,
author = "Chuanyun Xiao and Sven Kr{\"u}ger and Thomas Belling
and Markus Mayer and Notker R{\"o}sch",
title = "Relativistic effects on geometry and electronic
structure of small {Pd$_n$} species $(n = 1, 2, 4)$",
journal = j-IJQC,
volume = "74",
number = "4",
pages = "405--416",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62502084;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62502084&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Silva:1999:PCG,
author = "Clarissa O. Da Silva and Edilson C. Da Silva and M. A.
Chaer Nascimento",
title = "Pseudospectral calculation of the gas-phase acidities
of aliphatic alcohols",
journal = j-IJQC,
volume = "74",
number = "4",
pages = "417--422",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62502085;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62502085&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Yamaguchi:1999:RMM,
author = "Yoichi Yamaguchi and Yosuke Nagasawa and Satoshi
Shimomura and Kenji Tabata",
title = "Reaction model for methane oxidation on reduced
{SnO$_2$} (110) surface",
journal = j-IJQC,
volume = "74",
number = "4",
pages = "423--433",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62502086;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62502086&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Komninos:1999:EMS,
author = "Yannis Komninos and Cleanthes A. Nicolaides",
title = "Erratum: {Molecular} shape, shape of the geometrically
active atomic states, and hybridization",
journal = j-IJQC,
volume = "74",
number = "4",
pages = "435--435",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:48 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "See \cite{Komninos:1999:MSS}.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62502087;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62502087&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1999:GGH,
author = "Anonymous",
title = "{George G. Hall}",
journal = j-IJQC,
volume = "74",
number = "5",
pages = "437--437",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:51 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Role of Mathematics in Quantum
Chemistry: Special Issue in Honor of George G. Hall
(Part I of II)}. Issue Edited by Don Rees, Hiroshi
Fujimotoi.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62503011;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62503011&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Hall:1999:RR,
author = "George G. Hall",
title = "Recollections and reflections",
journal = j-IJQC,
volume = "74",
number = "5",
pages = "439--453",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:51 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Role of Mathematics in Quantum
Chemistry: Special Issue in Honor of George G. Hall
(Part I of II)}. Issue Edited by Don Rees, Hiroshi
Fujimotoi.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62502997;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62502997&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Koga:1999:ECE,
author = "Toshikatsu Koga and Hisashi Matsuyama",
title = "Explicitly correlated extracule densities for
two-electron atoms",
journal = j-IJQC,
volume = "74",
number = "5",
pages = "455--465",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:51 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Role of Mathematics in Quantum
Chemistry: Special Issue in Honor of George G. Hall
(Part I of II)}. Issue Edited by Don Rees, Hiroshi
Fujimotoi.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62502998;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62502998&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Levine:1999:ICE,
author = "R. D. Levine",
title = "On the independence of correlated events",
journal = j-IJQC,
volume = "74",
number = "5",
pages = "467--478",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:51 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Role of Mathematics in Quantum
Chemistry: Special Issue in Honor of George G. Hall
(Part I of II)}. Issue Edited by Don Rees, Hiroshi
Fujimotoi.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62502999;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62502999&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Martin:1999:QDT,
author = "Inmaculada Martin",
title = "Quantum defect and transition probabilities",
journal = j-IJQC,
volume = "74",
number = "5",
pages = "479--489",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:51 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Role of Mathematics in Quantum
Chemistry: Special Issue in Honor of George G. Hall
(Part I of II)}. Issue Edited by Don Rees, Hiroshi
Fujimotoi.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62503000;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62503000&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Aoki:1999:SRF,
author = "Yuriko Aoki and Akira Imamura",
title = "A simple rule to find nondisjoint {NBMO} degenerate
systems for designing high-spin organic molecules",
journal = j-IJQC,
volume = "74",
number = "5",
pages = "491--502",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:51 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Role of Mathematics in Quantum
Chemistry: Special Issue in Honor of George G. Hall
(Part I of II)}. Issue Edited by Don Rees, Hiroshi
Fujimotoi.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62503001;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62503001&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Maggiora:1999:FSA,
author = "Gerald M. Maggiora and Paul G. Mezey",
title = "A fuzzy-set approach to functional-group comparisons
based on an asymmetric similarity measure",
journal = j-IJQC,
volume = "74",
number = "5",
pages = "503--514",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:51 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Role of Mathematics in Quantum
Chemistry: Special Issue in Honor of George G. Hall
(Part I of II)}. Issue Edited by Don Rees, Hiroshi
Fujimotoi.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62503002;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62503002&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Takahashi:1999:SSM,
author = "Osamu Takahashi and Ko Saito and Satoshi Yabushita",
title = "Simple {SCF} method with spin-orbit interaction:
{SOSCF} method",
journal = j-IJQC,
volume = "74",
number = "5",
pages = "515--530",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:51 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Role of Mathematics in Quantum
Chemistry: Special Issue in Honor of George G. Hall
(Part I of II)}. Issue Edited by Don Rees, Hiroshi
Fujimotoi.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62503003;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62503003&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Woolley:1999:CPG,
author = "R. G. Woolley",
title = "Charged particles, gauge invariance, and molecular
electrodynamics",
journal = j-IJQC,
volume = "74",
number = "5",
pages = "531--545",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:51 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Role of Mathematics in Quantum
Chemistry: Special Issue in Honor of George G. Hall
(Part I of II)}. Issue Edited by Don Rees, Hiroshi
Fujimotoi.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62503004;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62503004&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Wilson:1999:DGB,
author = "S. Wilson",
title = "Distributed {Gaussian} basis sets: {A} stochastic
variational approach for diatomic molecules",
journal = j-IJQC,
volume = "74",
number = "5",
pages = "547--552",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:51 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Role of Mathematics in Quantum
Chemistry: Special Issue in Honor of George G. Hall
(Part I of II)}. Issue Edited by Don Rees, Hiroshi
Fujimotoi.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62503005;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62503005&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Cances:1999:SRM,
author = "Eric Cances and Mireille Defranceschi and Claude Le
Bris",
title = "Some recent mathematical contributions to quantum
chemistry",
journal = j-IJQC,
volume = "74",
number = "5",
pages = "553--557",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:51 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Role of Mathematics in Quantum
Chemistry: Special Issue in Honor of George G. Hall
(Part I of II)}. Issue Edited by Don Rees, Hiroshi
Fujimotoi.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62503006;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62503006&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Burrows:1999:AAS,
author = "B. L. Burrows and F. M. Moideen and A. T. Amos",
title = "Approximate analytical solutions for two-state
time-dependent problems",
journal = j-IJQC,
volume = "74",
number = "5",
pages = "559--571",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:51 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Role of Mathematics in Quantum
Chemistry: Special Issue in Honor of George G. Hall
(Part I of II)}. Issue Edited by Don Rees, Hiroshi
Fujimotoi.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62503007;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62503007&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{McWeeny:1999:LNQ,
author = "Roy McWeeny and Claudio Amovilli",
title = "Locality and nonlocality in quantum mechanics: {A}
two-proton {EPR} experiment",
journal = j-IJQC,
volume = "74",
number = "5",
pages = "573--584",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:51 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Role of Mathematics in Quantum
Chemistry: Special Issue in Honor of George G. Hall
(Part I of II)}. Issue Edited by Don Rees, Hiroshi
Fujimotoi.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62503008;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62503008&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Amos:1999:NCF,
author = "A. T. Amos and B. L. Burrows",
title = "A note on current flow in donor-bridge-acceptor
systems",
journal = j-IJQC,
volume = "74",
number = "5",
pages = "585--594",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:51 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Role of Mathematics in Quantum
Chemistry: Special Issue in Honor of George G. Hall
(Part I of II)}. Issue Edited by Don Rees, Hiroshi
Fujimotoi.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62503009;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62503009&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Hudson:1999:SPR,
author = "R. L. Hudson",
title = "Some properties of reduced density operators",
journal = j-IJQC,
volume = "74",
number = "5",
pages = "595--599",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 3 08:34:51 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Role of Mathematics in Quantum
Chemistry: Special Issue in Honor of George G. Hall
(Part I of II)}. Issue Edited by Don Rees, Hiroshi
Fujimotoi.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=62503010;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=62503010&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Hall:1999:TSP,
author = "G. G. Hall and D. Rees",
title = "A theory of special points in two-dimensional
solid-state calculations",
journal = j-IJQC,
volume = "74",
number = "6",
pages = "601--615",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 31 11:50:32 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Role of Mathematics in Quantum
Chemistry: Special Issue in Honor of George G. Hall
(Part II of II)}. Issue Edited by Don Rees, Hiroshi
Fujimotoi.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=63001793;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=63001793&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Dunne:1999:WCE,
author = "Lawrence J. Dunne and Erkki J. Br{\"a}ndas and John N.
Murrell",
title = "{$D$}-wave condensate and essential phenomenological
description of some properties of high {$T_c$} cuprate
superconductors",
journal = j-IJQC,
volume = "74",
number = "6",
pages = "617--626",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 31 11:50:32 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Role of Mathematics in Quantum
Chemistry: Special Issue in Honor of George G. Hall
(Part II of II)}. Issue Edited by Don Rees, Hiroshi
Fujimotoi.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=63001778;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=63001778&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Gutman:1999:HRT,
author = "Ivan Gutman",
title = "On the {Hall} rule in the theory of benzenoid
hydrocarbons",
journal = j-IJQC,
volume = "74",
number = "6",
pages = "627--632",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 31 11:50:32 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Role of Mathematics in Quantum
Chemistry: Special Issue in Honor of George G. Hall
(Part II of II)}. Issue Edited by Don Rees, Hiroshi
Fujimotoi.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=63001779;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=63001779&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Arimoto:1999:SAC,
author = "Shigeru Arimoto and Kenichi Fukui and Peter Zizler and
Keith F. Taylor and Paul G. Mezey",
title = "Structural analysis of certain linear operators
representing chemical network systems via the existence
and uniqueness theorems of spectral resolution. {V}",
journal = j-IJQC,
volume = "74",
number = "6",
pages = "633--644",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 31 11:50:32 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Role of Mathematics in Quantum
Chemistry: Special Issue in Honor of George G. Hall
(Part II of II)}. Issue Edited by Don Rees, Hiroshi
Fujimotoi.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=63001780;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=63001780&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Armour:1999:CBO,
author = "E. A. G. Armour and V. Zeman",
title = "Corrections to the {Born--Oppenheimer} approximation
as applied to a system made up of hydrogen and
antihydrogen",
journal = j-IJQC,
volume = "74",
number = "6",
pages = "645--652",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 31 11:50:32 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Role of Mathematics in Quantum
Chemistry: Special Issue in Honor of George G. Hall
(Part II of II)}. Issue Edited by Don Rees, Hiroshi
Fujimotoi.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=63001781;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=63001781&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Saito:1999:CNR,
author = "Yoshihiro Saito and Masataka Nagaoka",
title = "Characteristics of numerical realization via
stochastic partial differential equation: {An}
application to density matrix calculation",
journal = j-IJQC,
volume = "74",
number = "6",
pages = "653--660",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 31 11:50:32 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Role of Mathematics in Quantum
Chemistry: Special Issue in Honor of George G. Hall
(Part II of II)}. Issue Edited by Don Rees, Hiroshi
Fujimotoi.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=63001782;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=63001782&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Tanaka:1999:CBM,
author = "Kiyoshi Tanaka and Tapas K. Ghosh and Takeo Sakai",
title = "{CSF}-based multireference coupled-pair approximation.
{IV}. {Revision} of coupling term and application to
{Rydberg}-valence avoided crossing in lowest two
{$^1\Sigma^+$} excited states of {FH} molecule and
lowest two $^3{\Pi}_g$ states of {F$_2$} molecule",
journal = j-IJQC,
volume = "74",
number = "6",
pages = "661--668",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 31 11:50:32 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Role of Mathematics in Quantum
Chemistry: Special Issue in Honor of George G. Hall
(Part II of II)}. Issue Edited by Don Rees, Hiroshi
Fujimotoi.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=63001783;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=63001783&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Tachibana:1999:ARD,
author = "Akitomo Tachibana and Koichi Nakamura and Ken Sakata
and Takatoshi Morisaki",
title = "Application of the regional density functional theory:
{The} chemical potential inequality in the {HeH$^+$
System}",
journal = j-IJQC,
volume = "74",
number = "6",
pages = "669--679",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 31 11:50:32 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Role of Mathematics in Quantum
Chemistry: Special Issue in Honor of George G. Hall
(Part II of II)}. Issue Edited by Don Rees, Hiroshi
Fujimotoi.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=63001784;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=63001784&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Sutcliffe:1999:DMS,
author = "Brian T. Sutcliffe",
title = "Dipole moment surfaces and spectroscopic
calculations",
journal = j-IJQC,
volume = "74",
number = "6",
pages = "681--695",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 31 11:50:32 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Role of Mathematics in Quantum
Chemistry: Special Issue in Honor of George G. Hall
(Part II of II)}. Issue Edited by Don Rees, Hiroshi
Fujimotoi.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=63001785;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=63001785&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Randic:1999:REG,
author = "Milan Randi{\'c} and Xiaofeng Guo",
title = "Resonance energy of giant benzenoid hydrocarbon
{C$_{78}$H$_{26}$}",
journal = j-IJQC,
volume = "74",
number = "6",
pages = "697--708",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 31 11:50:32 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Role of Mathematics in Quantum
Chemistry: Special Issue in Honor of George G. Hall
(Part II of II)}. Issue Edited by Don Rees, Hiroshi
Fujimotoi.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=63001786;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=63001786&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Akhmatskaya:1999:MCS,
author = "Elena V. Akhmatskaya and Matthew D. Cooper and Neil A.
Burton and Andrew J. Masters and Ian H. Hillier",
title = "{Monte Carlo} simulations of water clusters on a
parallel computer using an ab initio potential",
journal = j-IJQC,
volume = "74",
number = "6",
pages = "709--719",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 31 11:50:32 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Role of Mathematics in Quantum
Chemistry: Special Issue in Honor of George G. Hall
(Part II of II)}. Issue Edited by Don Rees, Hiroshi
Fujimotoi.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=63001787;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=63001787&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Dias:1999:AES,
author = "Jerry Ray Dias",
title = "Analysis of $\pi$-electronic structures of small
alternant hydrocarbons to infinitely large polymeric
strips: {The} aufbau principle and end-group effects",
journal = j-IJQC,
volume = "74",
number = "6",
pages = "721--733",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 31 11:50:32 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Role of Mathematics in Quantum
Chemistry: Special Issue in Honor of George G. Hall
(Part II of II)}. Issue Edited by Don Rees, Hiroshi
Fujimotoi.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=63001788;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=63001788&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Fujimoto:1999:QTO,
author = "Hiroshi Fujimoto and Tomohiro Suzuki",
title = "Quantum theory in organic chemistry: {Electronic}
structure and chemical reactivity of
($\pi$-allyl)palladium complexes",
journal = j-IJQC,
volume = "74",
number = "6",
pages = "735--744",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 31 11:50:32 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Role of Mathematics in Quantum
Chemistry: Special Issue in Honor of George G. Hall
(Part II of II)}. Issue Edited by Don Rees, Hiroshi
Fujimotoi.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=63001789;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=63001789&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Nobutoki:1999:BSO,
author = "Hideharu Nobutoki",
title = "Broken-symmetry orbitals for the quasidiabatic
electronic states of polymers",
journal = j-IJQC,
volume = "74",
number = "6",
pages = "745--752",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 31 11:50:32 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Role of Mathematics in Quantum
Chemistry: Special Issue in Honor of George G. Hall
(Part II of II)}. Issue Edited by Don Rees, Hiroshi
Fujimotoi.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=63001790;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=63001790&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Aihara:1999:KSC,
author = "Jun-Ichi Aihara and Atsushi Sakurai",
title = "Kinetic stability of {C$_{78}$} fullerene isomers as
revealed by the bond resonance energy method",
journal = j-IJQC,
volume = "74",
number = "6",
pages = "753--760",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 31 11:50:32 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Role of Mathematics in Quantum
Chemistry: Special Issue in Honor of George G. Hall
(Part II of II)}. Issue Edited by Don Rees, Hiroshi
Fujimotoi.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=63001791;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=63001791&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Imamura:1999:ITS,
author = "Akira Imamura and Hiroyuki Sugiyama and Yuuichi
Orimoto and Yuriko Aoki",
title = "Ab initio through space/bond interaction analysis on
the stereoelectronic effect by modifying the exponents
of the basis set",
journal = j-IJQC,
volume = "74",
number = "6",
pages = "761--768",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 31 11:50:32 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Special Issue: {\em The Role of Mathematics in Quantum
Chemistry: Special Issue in Honor of George G. Hall
(Part II of II)}. Issue Edited by Don Rees, Hiroshi
Fujimotoi.",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=63001792;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=63001792&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Fan:1999:UEA,
author = "Peng-Dong Fan and Jin-Quan Chen and Luke Mcaven and
Philip Butler",
title = "Unique {Euler} angles and self-consistent
multiplication tables for double point groups",
journal = j-IJQC,
volume = "75",
number = "1",
pages = "1--9",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 31 11:50:33 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=63003144;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=63003144&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Palma:1999:CTF,
author = "A. Palma and V. M. Le{\'o}n and L. Sandoval",
title = "The convolution theorem and the {Franck--Condon}
integral",
journal = j-IJQC,
volume = "75",
number = "1",
pages = "11--15",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 31 11:50:33 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=63003145;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=63003145&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Schurer:1999:APV,
author = "Gudrun Sch{\"u}rer and Peter Gedeck and Maik
Gottschalk and Timothy Clark",
title = "Accurate parametrized variational calculations of the
molecular electronic polarizability by {NDDO}-based
methods",
journal = j-IJQC,
volume = "75",
number = "1",
pages = "17--31",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 31 11:50:33 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=63003146;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=63003146&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Aono:1999:TOR,
author = "Shigeyuki Aono",
title = "Theory of optical rotation, {Faraday} effect, and
inverse {Faraday} effect",
journal = j-IJQC,
volume = "75",
number = "1",
pages = "33--45",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 31 11:50:33 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=63003147;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=63003147&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Wang:1999:TSI,
author = "Chaojie Wang and Song Ye",
title = "Theoretical study on the insertion reactions of
{Ti$^+$} ({$^2$F}) with {HF}, {HCl}, {H$_2$O},
{H$_2$S}, {NH$_3$}, {PH$_3$}, {CH$_4$}, and {SiH$_4$}",
journal = j-IJQC,
volume = "75",
number = "1",
pages = "47--54",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 31 11:50:33 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=63003148;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=63003148&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Yabana:1999:TDL,
author = "K. Yabana and G. F. Bertsch",
title = "Time-dependent local-density approximation in real
time: {Application} to conjugated molecules",
journal = j-IJQC,
volume = "75",
number = "1",
pages = "55--66",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Aug 31 11:50:33 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=63003149;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=63003149&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ping:1999:SCS,
author = "Jia-Lun Ping and Jin-Quan Chen",
title = "Subgroup-chain symmetry-adapted irreducible matrices
and {CG} coefficients of point groups",
journal = j-IJQC,
volume = "75",
number = "2",
pages = "67--80",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Sep 20 19:16:42 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=64000659;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=64000659&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Lukes:1999:PCH,
author = "Vladim{\'\i}r Luke\v{s} and Viliam Laurinc and
Stanislav Biskupi\v{c}",
title = "Perturbative calculation of the {Hartree--Fock}
interaction energy using orthogonalized orbitals",
journal = j-IJQC,
volume = "75",
number = "2",
pages = "81--88",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Sep 20 19:16:42 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=64000653;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=64000653&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Varandas:1999:VSL,
author = "A. J. C. Varandas and Z. R. Xu",
title = "Vibrational spectrum of {Li$_3$} first-excited
electronic doublet state: {Geometric}-phase effects and
statistical analysis",
journal = j-IJQC,
volume = "75",
number = "2",
pages = "89--109",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Sep 20 19:16:42 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=64000654;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=64000654&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Yurtsever:1999:QMA,
author = "Mine Yurtsever and Belkis Ustamehmetoglu and A. Sezai
Sarac and A. Mannschreck",
title = "A quantum mechanical approach to electrochemical
behavior of spirochromics",
journal = j-IJQC,
volume = "75",
number = "2",
pages = "111--117",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Sep 20 19:16:42 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=64000655;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=64000655&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Zhang:1999:TSI,
author = "Dongju Zhang and Yuxiang Bu and Chengbu Liu",
title = "Theoretical study of the inner-sphere energy barrier
of the transition-metal complex
{M(H$_2$O)$_6$}$^{2+/3+}$ in electron-transfer
process",
journal = j-IJQC,
volume = "75",
number = "2",
pages = "119--126",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Sep 20 19:16:42 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=64000656;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=64000656&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Bredow:1999:EEC,
author = "Thomas Bredow",
title = "Effect of embedding and cluster size on the ab initio
study of potassium adsorption at rutile$(110)$",
journal = j-IJQC,
volume = "75",
number = "2",
pages = "127--132",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Sep 20 19:16:42 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=64000657;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=64000657&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Pauncz:1999:BR,
author = "Ruben Pauncz",
title = "Book Review",
journal = j-IJQC,
volume = "75",
number = "2",
pages = "133--133",
month = "????",
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Sep 20 19:16:42 MDT 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract?ID=64000658;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=64000658&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1999:BPA,
author = "Anonymous",
title = "Bernard {Pullman} and {Alberte Pullman}",
journal = j-IJQC,
volume = "75",
number = "3",
pages = "135--135",
day = "5",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/65000675/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=65000675&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1999:IMB,
author = "Anonymous",
title = "Introduction: {In Memory} of {Bernard Pullman}
(1919--1996)",
journal = j-IJQC,
volume = "75",
number = "3",
pages = "137--138",
day = "5",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/65000654/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=65000654&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1999:B,
author = "Anonymous",
title = "Bibliography",
journal = j-IJQC,
volume = "75",
number = "3",
pages = "139--139",
day = "5",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/65000655/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=65000655&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Terstegen:1999:IPP,
author = "Frank Terstegen and Emily A. Carter and Volker Buss",
title = "Interconversion pathways of the
protonated$\beta$-ionone {Schiff} base: {An} ab initio
molecular dynamics study",
journal = j-IJQC,
volume = "75",
number = "3",
pages = "141--145",
day = "5",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/65000656/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=65000656&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Tang:1999:HES,
author = "Karen E. S. Tang and Ken A. Dill",
title = "How experiments see fluctuations of native proteins:
{Perspective} from an exact model",
journal = j-IJQC,
volume = "75",
number = "3",
pages = "147--164",
day = "5",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/65000657/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=65000657&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Skolnick:1999:NPQ,
author = "Jeffrey Skolnick and Andrzej Kolinski and Debasisa
Mohanty",
title = "De novo predictions of the quaternary structure of
leucine zippers and other coiled coils",
journal = j-IJQC,
volume = "75",
number = "3",
pages = "165--176",
day = "5",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/65000658/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=65000658&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Jagielska:1999:LSP,
author = "Anna Jagielska and Robert Moszynski and Lucjan Piela",
title = "A large structural polarization by intermolecular
forces: {Ab} initio theoretical investigation of the
{H$_3$ N\dottedbond{}H$_2$CN} and
{H$_3$N\dottedbond{}B(CN)$_3$} interactions",
journal = j-IJQC,
volume = "75",
number = "3",
pages = "177--185",
day = "5",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/65000659/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=65000659&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Vaz:1999:UED,
author = "Roy J. Vaz and Michael Edwards and Jian Shen and
Robert Pearlstein and Dorothea Kominos",
title = "Use of electron densities in comparative molecular
field analysis {(CoMFA)}: {O\bond{}H} bond dissociation
energies in phenols",
journal = j-IJQC,
volume = "75",
number = "3",
pages = "187--195",
day = "5",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/65000660/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=65000660&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Woolf:1999:IIC,
author = "Thomas B. Woolf and Alan Grossfield and John G.
Pearson",
title = "Indoles at interfaces: {Calculations} of electrostatic
effects with density functional and molecular dynamics
methods",
journal = j-IJQC,
volume = "75",
number = "3",
pages = "197--206",
day = "5",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/65000661/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=65000661&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Kidera:1999:SMC,
author = "Akinori Kidera",
title = "Smart {Monte Carlo} simulation of a globular protein",
journal = j-IJQC,
volume = "75",
number = "3",
pages = "207--214",
day = "5",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/65000662/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=65000662&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ferenczy:1999:QMS,
author = "Gy{\"o}rgy G. Ferenczy and G{\'a}bor
N{\'a}ray-Szab{\'o} and P{\'e}ter V{\'a}rnai",
title = "Quantum mechanical study of the hydride shift step in
the xylose isomerase catalytic reaction with the
fragment self-consistent field method",
journal = j-IJQC,
volume = "75",
number = "3",
pages = "215--222",
day = "5",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/65000663/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=65000663&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Sonavane:1999:PIC,
author = "Uddhavesh B. Sonavane and Kailas D. Sonawane and Annie
Morin and Henri Grosjean and Ravindra Tewari",
title = "{N}($7$)-protonation induced conformational flipping
in hypermodified nucleic acid bases
{$N^6$-(N-threonylcarbonyl)adenine} and its
$2$-methylthio- or {N($6$)-methyl}-derivatives",
journal = j-IJQC,
volume = "75",
number = "3",
pages = "223--229",
day = "5",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Apr 12 07:34:03 2002",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/65000664/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=65000664&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Garcia-Viloca:1999:MDS,
author = "Mireia Garcia-Viloca and Peter A. Kollman",
title = "Molecular dynamics simulations can reproduce the
subtle differences in {NADP} and {NHDP} binding to
isocitrate dehydrogenase",
journal = j-IJQC,
volume = "75",
number = "3",
pages = "231--243",
day = "5",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/65000665/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=65000665&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Hovorun:1999:NAG,
author = "Dmytro M. Hovorun and Leonid Gorb and Jerzy
Leszczynski",
title = "From the nonplanarity of the amino group to the
structural nonrigidity of the molecule: {A}
post-{Hartree--Fock} ab initio study of
$2$-aminoimidazole",
journal = j-IJQC,
volume = "75",
number = "3",
pages = "245--253",
day = "5",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/65000666/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=65000666&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Lee:1999:CSA,
author = "Jooyoung Lee and Harold A. Scheraga",
title = "Conformational space annealing by parallel
computations: {Extensive} conformational search of
{Met}-enkephalin and of the $20$-residue membrane-bound
portion of melittin",
journal = j-IJQC,
volume = "75",
number = "3",
pages = "255--265",
day = "5",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/65000667/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=65000667&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Murray:1999:CDM,
author = "Jane S. Murray and Zenaida Peralta-Inga and Peter
Politzer",
title = "Conformational dependence of molecular surface
electrostatic potentials",
journal = j-IJQC,
volume = "75",
number = "3",
pages = "267--273",
day = "5",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/65000668/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=65000668&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Pan:1999:MBP,
author = "Baocheng Pan and Muttaiya Sundaralingam",
title = "Mismatched base pairing in {RNA} crystal structures",
journal = j-IJQC,
volume = "75",
number = "3",
pages = "275--287",
day = "5",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/65000669/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=65000669&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Kafafi:1999:IDS,
author = "Sherif A. Kafafi and Morris Krauss",
title = "Ab initio determination of the structure of the active
site of a metalloenzyme: {Metal} substitution in
phosphotriesterase using density functional methods",
journal = j-IJQC,
volume = "75",
number = "3",
pages = "289--299",
day = "5",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/65000670/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=65000670&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Jernigan:1999:RSF,
author = "R. L. Jernigan and M. C. Demirel and I. Bahar",
title = "Relating structure to function through the dominant
slow modes of motion of {DNA} topoisomerase {II}",
journal = j-IJQC,
volume = "75",
number = "3",
pages = "301--312",
day = "5",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/65000671/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=65000671&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Kombo:1999:CAV,
author = "David C. Kombo and G. Ravishanker and S. Rackovsky and
David L. Beveridge",
title = "Computational analysis of variants of the operator
binding domain of the bacteriophage $\lambda$
repressor",
journal = j-IJQC,
volume = "75",
number = "3",
pages = "313--325",
day = "5",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/65000672/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=65000672&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1999:LPc,
author = "Anonymous",
title = "List of participants",
journal = j-IJQC,
volume = "75",
number = "3",
pages = "327--330",
day = "5",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/65000673/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=65000673&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Simonson:1999:EDR,
author = "Thomas Simonson",
title = "Erratum: {Dielectric} relaxation in proteins:
{Microscopic} and macroscopic models",
journal = j-IJQC,
volume = "75",
number = "3",
pages = "331--331",
day = "5",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/65000674/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=65000674&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ohrn:1999:Ia,
author = "N. Y. {\"O}hrn and J. R. Sabin and M. C. Zerner",
title = "Introduction",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "333--333",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004992/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004992&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1999:LPd,
author = "Anonymous",
title = "List of participants",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "335--359",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004993/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004993&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Thorndyke:1999:AES,
author = "B. Thorndyke and D. A. Micha and K. Runge",
title = "Acceleration effects in slow ion-atom collisions from
a first-principles dynamics",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "361--366",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004996/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004996&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Hagelberg:1999:END,
author = "F. Hagelberg",
title = "Electron nuclear dynamics studies of {H$_3$} and
{H$_3^+$}",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "367--383",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004937/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004937&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Saha:1999:LES,
author = "Bidhan C. Saha and Anil Kumar",
title = "Low-energy single-electron capture cross sections in
{C$^{6+}$}\slash {C$^{4+}$}-{Na(3$s$)} and
{N$^{7+}$}\slash {N$^{5+}$}-{Na(3$s$)} collisions:
{Molecular} state approach",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "385--398",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004938/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004938&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Paikeday:1999:EPA,
author = "Joseph M. Paikeday",
title = "Effective potential for $e$-argon and $e$-krypton
scattering by {DCS} minimization at intermediate
energies",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "399--407",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004994/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004994&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Carlsen:1999:QTA,
author = "Henrik Carlsen and Erik Sj{\"o}qvist and Osvaldo
Goscinski",
title = "Quantal trajectories for adiabatic and nonadiabatic
regimes of vibronic systems",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "409--416",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004939/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004939&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Hagmann:1999:SPM,
author = "Mark J. Hagmann",
title = "Single-photon and multiphoton processes causing
resonance in the transmission of electrons by a single
potential barrier in a radiation field",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "417--427",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004940/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004940&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Salam:1999:NOR,
author = "A. Salam and D. A. Micha",
title = "Nonlinear optical response of metal surfaces with
adsorbed molecules",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "429--439",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004941/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004941&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Champagne:1999:BLA,
author = "Beno{\^\i}t Champagne and Eric A. Perp{\`e}te",
title = "Bond length alternation effects on the static
electronic polarizability and second
hyperpolarizability of polyacetylene chains",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "441--447",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004995/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004995&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Larsson:1999:SHP,
author = "Per-Erik Larsson and Lars M. Kristensen and Kurt V.
Mikkelsen",
title = "Studies of hyperpolarizabilities for {\em
para\/}-nitroaniline in the charge-transfer state:
{Application} of a reaction-field response method",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "449--456",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004942/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004942&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Lin:1999:SEL,
author = "Ying-Ting Lin and Shyi-Long Lee",
title = "Structural effects on the low cubic
hyperpolarizability of {C$_{60}$}: {A} scaling of
conjugation in three-dimensional curvature
of$\pi$-conjugation systems",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "457--463",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004991/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004991&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Lemus:1999:GAL,
author = "R. Lemus and A. Frank",
title = "General anharmonic local mode approach to molecular
vibrations",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "465--481",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004962/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004962&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Jankowski:1999:CBP,
author = "K. Jankowski and K. Kowalski and I. Grabowski and H.
J. Monkhorst",
title = "Correspondence between physical states and solutions
to the coupled-cluster equations",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "483--496",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004944/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004944&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Tachikawa:1999:SOG,
author = "Masanori Tachikawa and Kento Taneda and Kazuhide
Mori",
title = "Simultaneous optimization of {GTF} exponents and their
centers with fully variational treatment of
{Hartree--Fock} molecular orbital calculation",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "497--510",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004945/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004945&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ohta:1999:OAA,
author = "Y. Ohta and H. Kizu and A. Yamada and T. Yoshimoto and
K. Nishikawa",
title = "One approach to adiabatic population transfer by
{H{\"u}ckel} molecular orbital theory",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "511--522",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004946/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004946&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Leitner:1999:IQE,
author = "David M. Leitner",
title = "Influence of quantum energy flow and localization on
molecular isomerization in gas and condensed phases",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "523--531",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004947/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004947&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Sergeev:1999:CNC,
author = "Alexei V. Sergeev and Sabre Kais",
title = "Critical nuclear charges for {$N$}-electron atoms",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "533--542",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004948/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004948&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Larsson:1999:SCM,
author = "Sven Larsson and Agris Klimk{\"a}ns",
title = "Superconducting currents from molecular theory",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "543--548",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004949/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004949&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Nagao:1999:TSA,
author = "Hidemi Nagao and Masaki Mitani and Masamichi Nishino
and Yasuteru Shigeta and Yasunori Yoshioka and Kizashi
Yamaguchi",
title = "Theoretical studies on anomalous phases in molecular
systems with external field: {Possibility} of
photo-induced superconductivity",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "549--561",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004950/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004950&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Cardenas-Lailhacar:1999:GSA,
author = "Cristian Cardenas-Lailhacar and Michael C. Zerner",
title = "Generalized symmetry-adapted interpolation procedure
for finding transition states in internal rotations",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "563--576",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004951/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004951&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Hsiao:1999:CEG,
author = "Ya-Wen Hsiao and Michael C. Zerner",
title = "Calculating {ESR \em {G\/}} tensors of doublet
radicals by the semiempirical {INDO/S} method",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "577--584",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004952/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004952&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Longo:1999:CDB,
author = "Ricardo L. Longo",
title = "Charge-dependent basis sets. {I}. {First} row
elements",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "585--591",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004953/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004953&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Harris:1999:CGC,
author = "Frank E. Harris",
title = "Computer generation of coupled-cluster equations",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "593--597",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/(SICI)1097-461X(1999)75:4/5<593::AID-QUA24>3.0.CO;2-H",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
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https://www.math.utah.edu/pub/tex/bib/ijqc1990.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004954/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004954&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
onlinedate = "29 Oct 1999",
}
@Article{Resta:1999:MPE,
author = "Raffaele Resta",
title = "Macroscopic polarization from electronic wave
functions",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "599--606",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004955/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004955&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Zakrzewski:1999:IAR,
author = "V. G. Zakrzewski and O. Dolgounitcheva and J. V.
Ortiz",
title = "Improved algorithms for renormalized electron
propagator calculations",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "607--614",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004956/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004956&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ortiz:1999:ABO,
author = "J. V. Ortiz",
title = "Approximate {Brueckner} orbitals in electron
propagator calculations",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "615--621",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004957/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004957&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Sein:1999:AFC,
author = "Lawrence T. {Sein, Jr.} and Yen Wei and Thanh Duong
and Mark D. Kemmerer and Susan A. Jansen",
title = "Anomalous failure of configuration interaction ---
{Singles (CIS)} method in the computation of the
electronic states of
{$N$,$N\prime$-bis(4$\prime$-aminophenyl)-$1,4$-quinonenediimine}",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "623--629",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Tue Oct 22 15:28:45 2002",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004958/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004958&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Mukherjee:1999:HPH,
author = "Prasanta K. Mukherjee and M. Luisa Senent and Yves G.
Smeyers",
title = "Half-projected {Hartree--Fock} calculations for the
spectroscopic parameters, frequencies, and intensities
of the torsional mode of the lowest lying singlet
excited states of hydrogen peroxide",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "631--636",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004959/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004959&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Kiribayashi:1999:SCF,
author = "Shinji Kiribayashi and Takao Kobayashi and Masayoshi
Nakano and Kizashi Yamaguchi",
title = "Self-consistent-field calculations of molecular
magnetic properties using gauge-invariant atomic
orbitals",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "637--643",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004960/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004960&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Yamaki:1999:VTB,
author = "D. Yamaki and Y. Kitagawa and H. Nagao and M. Nakano
and Y. Yoshioka and K. Yamaguchi",
title = "Visualization of two-body electron densities and wave
functions of magnetic molecules",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "645--654",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004961/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004961&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ritchie:1999:QCC,
author = "Burke Ritchie and Charles A. Weatherford",
title = "Quantum classical correspondence in nonrelativistic
electrodynamics",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "655--658",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004943/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004943&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Bakker:1999:IAI,
author = "Albert Bakker and Kersti Hermansson and Jan Lindgren
and Michael M. Probst and Philippe A. Bopp",
title = "Interaction of {Aluminum(III)} with water. {An} ab
initio study",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "659--669",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004963/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004963&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Bohr:1999:TSP,
author = "F. Bohr and E. Henon and I. Garc{\'\i}a and M.
Castro",
title = "Theoretical study of the peroxy radicals {RO$_2$}
self-reaction: {Structures} and stabilization energies
of the intermediate {RO$_4$ R} for various {R}",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "671--682",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004964/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004964&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Bianco:1999:TSH,
author = "Roberto Bianco and James T. Hynes",
title = "Theoretical studies of heterogeneous reaction
mechanisms relevant for stratospheric ozone depletion",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "683--692",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004965/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004965&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Manaa:1999:PNI,
author = "M. Riad Manaa",
title = "Photodissociation of {NaK}: {Ab} initio spin-orbit
interactions of the {Na} (3$^2${S}) {K} (4$^2${P$_J$})
manifold",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "693--697",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004966/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004966&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Cruz:1999:TSP,
author = "A. Cruz and G. {Del Angel} and E. Poulain and J. M.
Mart{\'\i}nez-Magad{\'a}n and M. Castro",
title = "Theoretical study for the {Pt$_2$ Au}- and
{PtAu$_2$}-ethylene interaction",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "699--707",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004967/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004967&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Grozema:1999:IBC,
author = "Ferdinand C. Grozema and Robert W. J. Zijlstra and
Marcel Swart and Piet Th. van Duijnen",
title = "Iodine-benzene charge-transfer complex: {Potential}
energy surface and transition probabilities studied at
several levels of theory",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "709--723",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004968/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004968&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Martinez-Magadan:1999:TSH,
author = "J. M. Mart{\'\i}nez-Magad{\'a}n and A. Cu{\'a}n and M.
Castro",
title = "Theoretical study of the $n$-heptane-{HZSM}-$5$ ring
structure model interaction",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "725--740",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004969/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004969&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Mach:1999:QCS,
author = "Pavel Mach and Jan Urban and Jerzy Leszczynski",
title = "Quantum chemical study of ground-state merocyanine
$540$ model compounds",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "741--750",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004970/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004970&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Seybold:1999:ABS,
author = "Paul G. Seybold and Lemont B. Kier and Chao-Kun
Cheng",
title = "Aurora borealis: {Stochastic} cellular automata
simulations of the excited-state dynamics of oxygen
atoms",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "751--756",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004971/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004971&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Suzumura:1999:GSP,
author = "Toshihisa Suzumura and Takahito Nakajima and Kimihiko
Hirao",
title = "Ground-state properties of {MH}, {MCl}, and {M$_2$}
({M} = {Cu}, {Ag}, and {Au}) calculated by a scalar
relativistic density functional theory",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "757--766",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004972/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004972&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Mennucci:1999:MEP,
author = "B. Mennucci and R. Cammi and J. Tomasi",
title = "Medium effects on the properties of chemical systems:
{Electric} and magnetic response of donor-acceptor
systems within the polarizable continuum model",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "767--781",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004973/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004973&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Tomasi:1999:MEP,
author = "Jacopo Tomasi and Roberto Cammi and Benedetta
Mennucci",
title = "Medium effects on the properties of chemical systems:
{An} overview of recent formulations in the polarizable
continuum model {(PCM)}",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "783--803",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004974/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004974&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ebner:1999:MDS,
author = "Christoph Ebner and Roland Sansone and Sunantha
Hengrasmee and Michael Probst",
title = "Molecular dynamics study of an aqueous potassium
nitrate solution",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "805--814",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004975/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004975&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Head:1999:CFR,
author = "John D. Head and Yu Shi",
title = "Characterization of {Fermi} resonances in adsorbate
vibrational spectra using cluster calculations:
{Methoxy} adsorption on {Al(111)} and {Cu(111)}",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "815--820",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004976/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004976&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Mishra:1999:CEL,
author = "Rama K. Mishra and Shyi-Long Lee",
title = "Conversion of edge-to-loop and loop-to-edge technique
used to study [$\pi^2$ +$\pi^2$] and [$\pi^2$ +$\pi^4$]
chemical reactions",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "821--827",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004977/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004977&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{March:1999:SCS,
author = "N. H. March and D. J. Klein and A. K. Ray and X. Wu",
title = "Si$_n$ clusters: {Surface} energy considerations for
large $n$ and all-electron {Hartree--Fock} calculations
for $n = 45$",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "829--838",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004979/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004979&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Dobrowolski:1999:CCL,
author = "Jan Cz. Dobrowolski and Aleksander P. Mazurek",
title = "On the {C$_{60}$} carbyne links (from 2$_1^2$ to
6$_3^2$)",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "839--846",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004980/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004980&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Cisneros:1999:DSS,
author = "G. Andr{\'e}s Cisneros and Miguel Castro and Dennis R.
Salahub",
title = "{DFT} study of the structural and electronic
properties of small {Ni$_n$} $(n = 2\mbox{--}4)$
clusters",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "847--861",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004981/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004981&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Matveev:1999:DFS,
author = "Alexei Matveev and Markus Staufer and Markus Mayer and
Notker R{\"o}sch",
title = "Density functional study of small molecules and
transition-metal carbonyls using revised {PBE}
functionals",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "863--873",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004982/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004982&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Shigeta:1999:DFT,
author = "Y. Shigeta and H. Nagao and K. Nishikawa and K.
Yamaguchi",
title = "Density functional theory without the
{Born--Oppenheimer} approximation. {II}. {Green}
function techniques",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "875--883",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004983/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004983&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Gutle:1999:CEC,
author = "Claudine Gutle and Andreas Savin and Joseph B. Krieger
and Jiqiang Chen",
title = "Correlation energy contributions from low-lying states
to density functionals based on an electron gas with a
gap",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "885--888",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004984/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004984&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Kurth:1999:MSS,
author = "Stefan Kurth and John P. Perdew and Peter Blaha",
title = "Molecular and solid-state tests of density functional
approximations: {LSD}, {GGAs}, and meta-{GGAs}",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "889--909",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004985/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004985&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Boettger:1999:SPC,
author = "J. C. Boettger and M. D. Jones and R. C. Albers",
title = "Structural properties of crystalline uranium from
linear combination of {Gaussian}-type orbitals
calculations",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "911--915",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004978/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004978&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Liubich:1999:IBT,
author = "Vlad Liubich and David Fuks and Simon Dorfman",
title = "Interstitial boron in tungsten: {Electronic}
structure, ordering tendencies, and total energy
calculations",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "917--926",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004986/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004986&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Dorfman:1999:ISE,
author = "Simon Dorfman and Vlad Liubich and David Fuks",
title = "Ab initio study of energy parameters in {DO$_3$} phase
of {Fe-Al} alloy",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "927--941",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004987/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004987&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Porter:1999:MBB,
author = "L. E. Porter",
title = "Modified {Bethe--Bloch} stopping power parameters for
kapton",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "943--950",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004988/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004988&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Bandrauk:1999:MNW,
author = "A. D. Bandrauk and S. Chelkowski and P. B. Corkum",
title = "Measuring nuclear wave functions by laser {Coulomb}
explosion imaging",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "951--959",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004989/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004989&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Manmoto:1999:DCD,
author = "Yoshinori Manmoto and Minaru Tei and Junichi Nogami
and Masakuni Furuyama",
title = "Determination of off-center displacements in
{NaBr:F$^-$} by nuclear magnetic double resonance",
journal = j-IJQC,
volume = "75",
number = "4--5",
pages = "961--965",
day = "15",
month = nov,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:26 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004990/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004990&PLACEBO=IE.pdf",
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}
@Article{Ohrn:1999:Ib,
author = "N. Y. {\"O}hrn and J. R. Sabin and M. C. Zerner",
title = "Introduction",
journal = j-IJQC,
volume = "75",
number = "6",
pages = "967--967",
day = "20",
month = dec,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:27 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004792/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004792&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1999:LPe,
author = "Anonymous",
title = "List of participants",
journal = j-IJQC,
volume = "75",
number = "6",
pages = "969--993",
day = "20",
month = dec,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:27 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004793/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004793&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Bhattacharjee:1999:IQC,
author = "Apurba K. Bhattacharjee",
title = "Ab initio quantum chemical analysis of
stereoelectronic properties may explain {\em in
vitro\/} antileishmanial activity of some macrocyclic
bisbenzylisoquinoline alkaloids",
journal = j-IJQC,
volume = "75",
number = "6",
pages = "995--1002",
day = "20",
month = dec,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:27 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004795/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004795&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Ramek:1999:QCC,
author = "Michael Ramek and Sanja Tomi{\'c}",
title = "Quantum chemical conformational analysis of the auxin
phytohormone $4$-methyl-$3$-indole acetic acid",
journal = j-IJQC,
volume = "75",
number = "6",
pages = "1003--1008",
day = "20",
month = dec,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:27 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004788/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004788&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Grozema:1999:SDC,
author = "Ferdinand C. Grozema and Yuri A. Berlin and Laurens D.
A. Siebbeles",
title = "Sequence-dependent charge transfer in
donor-{DNA}-acceptor systems: {A} theoretical study",
journal = j-IJQC,
volume = "75",
number = "6",
pages = "1009--1016",
day = "20",
month = dec,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:27 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004789/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004789&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Randic:1999:CFP,
author = "Milan Randi{\'c} and Goran Krilov",
title = "On a characterization of the folding of proteins",
journal = j-IJQC,
volume = "75",
number = "6",
pages = "1017--1026",
day = "20",
month = dec,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:27 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
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http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004794&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{Chun:1999:UIT,
author = "Paul W. Chun",
title = "Uncovering the innate thermodynamic quantities in
protein unfolding",
journal = j-IJQC,
volume = "75",
number = "6",
pages = "1027--1042",
day = "20",
month = dec,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:27 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
URL = "http://www3.interscience.wiley.com/cgi-bin/abstract/66004790/START;
http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004790&PLACEBO=IE.pdf",
acknowledgement = ack-nhfb,
}
@Article{King:1999:SAM,
author = "James W. King and Stephen P. Molnar",
title = "Surface area minimization in small peptide folding",
journal = j-IJQC,
volume = "75",
number = "6",
pages = "1043--1047",
day = "20",
month = dec,
year = "1999",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Fri Feb 25 07:44:27 MST 2000",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
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http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=66004791&PLACEBO=IE.pdf",
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}
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month = "????",
year = "2002",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.10150",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
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bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc.bib;
http://www3.interscience.wiley.com/journalfinder.html",
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http://www3.interscience.wiley.com/cgi-bin/fulltext/91012971/FILE?TPL=ftx_start;
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@Article{Kaufman:1975:TCC,
author = "J. J. Kaufman and H. E. Popkie",
title = "Test of Charge-Conserving Integral Approximations For
{A} Variable Retention of Diatomic Differential Overlap
{(VRDO)} Procedure For Semi-Ab Initio Molecular Orbital
Calculations on Large Molecules",
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}
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author = "P. O. L{\"o}wdin",
title = "Editorial",
journal = j-IJQC-BIO-SYMP,
volume = "17",
pages = "v",
year = "1990",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
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}
@Article{Ohrn:1990:Ia,
author = "N. Y. {\"O}hrn and J. R. Sabin and M. C. Zerner",
title = "Introduction",
journal = j-IJQC-BIO-SYMP,
volume = "17",
pages = "vii",
year = "1990",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Georges:1990:SEA,
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and R. Horion and G. Evrard and J. G. Fripiat and J.-M.
Andr{\'e} and F. Durant",
title = "Structural and Electronic Analysis of Peripheral
Benzodiazepine Ligands: Description of the
Pharmacophoric Elements for Their Receptors",
journal = j-IJQC-BIO-SYMP,
volume = "17",
pages = "1--??",
year = "1990",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
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}
@Article{King:1990:IMT,
author = "J. W. King and R. J. Kassell and B. B. King",
title = "The Integrated Molecular Transform as a Correlation
Parameter",
journal = j-IJQC-BIO-SYMP,
volume = "17",
pages = "27--??",
year = "1990",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
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}
@Article{Longo:1990:ATP,
author = "R. L. Longo and L. C. G. Freitas",
title = "{Adenine-Thymine} Proton Relay: Electric Field and
Environmental Effects on Point Mutation {DNA}",
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volume = "17",
pages = "35--??",
year = "1990",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Ramek:1990:IHB,
author = "M. Ramek",
title = "Intramolecular Hydrogen Bonding in Neutral Glycine,
beta-Alanine, gamma-Aminobutyric Acid, and
delta-Aminopentane Acid",
journal = j-IJQC-BIO-SYMP,
volume = "17",
pages = "45--??",
year = "1990",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Northrup:1990:BSP,
author = "S. H. Northrup and R. G. Herbert",
title = "Brownian Simulation of Protein Association and
Reaction",
journal = j-IJQC-BIO-SYMP,
volume = "17",
pages = "55--??",
year = "1990",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Ren:1990:CFE,
author = "S. Y. Ren and J. D. Dow",
title = "Change of the Frontier Electronic Orbitals due to
Substitutional Impurities in Large Chemical or
Biological Molecules",
journal = j-IJQC-BIO-SYMP,
volume = "17",
pages = "73--??",
year = "1990",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Pullman:1990:YSS,
author = "B. Pullman",
title = "30 Years of {Sanibel Symposia}: Structure and Activity
of Biomolecules",
journal = j-IJQC-BIO-SYMP,
volume = "17",
pages = "81--??",
year = "1990",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Thu Jan 04 11:42:21 1996",
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}
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author = "T. Sakuma and T. Takada and H. Kashiwagi and H.
Nakamura",
title = "Ab Initio {MO} Calculations of the Chlorophyll Dimer
in the Photosynthetic Reaction Center",
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volume = "17",
pages = "93--??",
year = "1990",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
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bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Shelley:1990:SSD,
author = "J. Shelley and K. Watanabe and M. L. Klein",
title = "Simulation of a Sodium Dodecylsulfate Micelle in
Aqueous Solution",
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pages = "103--??",
year = "1990",
CODEN = "IJQBDZ",
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bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Reggio:1990:MRT,
author = "P. H. Reggio and V. Frecer and A. P. Mazurek",
title = "A Molecular Reactivity Template for Cannabinoid
Analgesic Activity",
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volume = "17",
pages = "119--??",
year = "1990",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{White:1990:MMC,
author = "T. G. White and G. R. Pack",
title = "Molecular Mechanics Calculations of the Noncovalent
Interaction of Aflatoxin Bsub 1 and Its Ultimate
Carcinogen with Various {DNA} Sequences",
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volume = "17",
pages = "133--??",
year = "1990",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Luan:1990:CAP,
author = "C.-H. Luan and N. R. Krishna and D. W. Urry",
title = "Cyclododecapeptide Analog of the Polyhexapeptide of
Elastin: {2-D NMR} and Molecular Dynamics Studies",
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volume = "17",
pages = "145--??",
year = "1990",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
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}
@Article{Collins:1990:EFC,
author = "J. R. Collins and G. H. Loew",
title = "Effect of Fluorination of Camphor on Its Binding
Orientation in {P450sub} cam",
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year = "1990",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
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bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
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author = "D. L. Camper and G. H. Loew and J. R. Collins",
title = "Steric and Electronic Criteria for Teratogenicity of
Short Chain Aliphatic Acids",
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volume = "17",
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year = "1990",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
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}
@Article{Larsson:1990:CSD,
author = "S. Larsson and B. Kallbring",
title = "Charge Separation in {9,9'-Dianthryl} and a Special
Pair Treated by a Semi-Empirical Reaction Field
Method",
journal = j-IJQC-BIO-SYMP,
volume = "17",
pages = "189--??",
year = "1990",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Ohrn:1991:Ia,
author = "N. Y. {\"O}hrn and J. R. Sabin and M. C. Zerner",
title = "Introduction",
journal = j-IJQC-BIO-SYMP,
volume = "18",
pages = "vii",
year = "1991",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Lipscomb:1991:MSFa,
author = "William N. Lipscomb",
title = "Molecular Structure and Function",
journal = j-IJQC-BIO-SYMP,
volume = "18",
pages = "1--??",
year = "1991",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
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author = "J. Leszczynski",
title = "Structure and Properties of Uracil and Its Sulfur
Analogs: {A} Systematic Study of Basis Set Effects in
Ab Initio {SCF} Calculations",
journal = j-IJQC-BIO-SYMP,
volume = "18",
pages = "9--??",
year = "1991",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Szalewicz:1991:PTC,
author = "K. Szalewicz and B. Jeziorski and S. Rybak",
title = "Perturbation Theory Calculations of Intermolecular
Interaction Energies",
journal = j-IJQC-BIO-SYMP,
volume = "18",
pages = "23--??",
year = "1991",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Scheiner:1991:EPT,
author = "S. Scheiner and W. O. Yu",
title = "Effect of Proton Transfer on Neighboring Hydrogen-Bond
Strength",
journal = j-IJQC-BIO-SYMP,
volume = "18",
pages = "37--??",
year = "1991",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Dijkman:1991:PAS,
author = "J. P. Dijkman and P. Th. {Van Duijnen}",
title = "Papain in Aqueous Solution and the Role of {Asp-158}
in the Mechanism: An Ab Initio {SCF} + {DRF} + {BEM}
Study",
journal = j-IJQC-BIO-SYMP,
volume = "18",
pages = "49--??",
year = "1991",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
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author = "W. A. Sokalski and J. Lai and N. Luo and S. Sun and M.
Shibata and R. Ornstein and R. Rein",
title = "Ab Initio Study of the Electrostatic Multiple Nature
of Torsional Potentials in {CHsub} 3 {SSCHsub} 3,
{CHsub} 3 {SSH}, and {HOOH}",
journal = j-IJQC-BIO-SYMP,
volume = "18",
pages = "61--??",
year = "1991",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Tomasi:1991:DIM,
author = "J. Tomasi",
title = "Description and Interpretation of Molecular Phenomena
in Solution, Using Effective {Hamiltonian} Operators
Related to Continuous Solvent Distributions",
journal = j-IJQC-BIO-SYMP,
volume = "18",
pages = "73--??",
year = "1991",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Murray:1991:SLI,
author = "J. S. Murray and T. Brinck and P. Politzer",
title = "Surface Local Ionization Energies and Electrostatic
Potentials of the Conjugate Bases of a Series of Cyclic
Hydrocarbons in Relation to Their Aqueous Acidities",
journal = j-IJQC-BIO-SYMP,
volume = "18",
pages = "91--??",
year = "1991",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Larsson:1991:EFB,
author = "S. Larsson and M. Braga and A. Broo and B.
Kallebring",
title = "Electronic Factor in Biological Electron Transfer
Systems Role of Aromatic Side Groups",
journal = j-IJQC-BIO-SYMP,
volume = "18",
pages = "99--??",
year = "1991",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Broch:1991:QMS,
author = "H. Broch and R. Viani and D. Vasilescu",
title = "Quantum Molecular Study of the Alkylating Agent
Mechlorethamine",
journal = j-IJQC-BIO-SYMP,
volume = "18",
pages = "119--??",
year = "1991",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Villar:1991:PST,
author = "H. O. Villar and G. H. Loew",
title = "Properties of Selective Type {I} Benzodiazepine
Receptor Ligands",
journal = j-IJQC-BIO-SYMP,
volume = "18",
pages = "131--??",
year = "1991",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Wilkinson:1991:VMA,
author = "A. J. Wilkinson and R. H. Davies",
title = "Vibrational Modes in the Agonist and Antagonist Action
of Ligands on the betasub {1-Adrenoceptor} and Some
Receptor Site Geometry",
journal = j-IJQC-BIO-SYMP,
volume = "18",
pages = "151--??",
year = "1991",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Loew:1991:CEP,
author = "G. H. Loew and H. O. Villar and C. Cometta and J. J.
Perez",
title = "Conformational and Electronic Properties of
Met-Enkephalin",
journal = j-IJQC-BIO-SYMP,
volume = "18",
pages = "165--??",
year = "1991",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Luan:1991:BSC,
author = "C. H. Luan and D. K. Chang and T. M. Parker and N.
Rama Krishna and D. W. Urry",
title = "{beta-Spiral} Conformations of the Elastomeric
Polytetrapeptides, {(VPGG)$_n$} and {(IPGG)$_n$}, by
{2D} {NMR} and Molecular Mechanics Studies",
journal = j-IJQC-BIO-SYMP,
volume = "18",
pages = "183--??",
year = "1991",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Balendiran:1991:SBD,
author = "K. Balendiran and M. Sundaralingam",
title = "Structure of the {B-DNA} Dodecamer with the Reversed
Central Sequence {d(CGCGTTAACGCG)} and Its Netropsin
Complex",
journal = j-IJQC-BIO-SYMP,
volume = "18",
pages = "199--??",
year = "1991",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Hui:1991:ESC,
author = "X. Hui and N. Gresh and B. Pullman",
title = "Effect of Side Chains on the Groove-Binding
Specificity of Anthraquinone Intercalators",
journal = j-IJQC-BIO-SYMP,
volume = "18",
pages = "205--??",
year = "1991",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Luo:1991:DBS,
author = "J. Luo and M. H. Sarma and G. Gupta and R. H. Sarma",
title = "{DNA} Bending Studied by {MD} and {2D} {NMR} {NOESY}
Simulations: Role of the Junction Sequence between the
{A/T} Tracts",
journal = j-IJQC-BIO-SYMP,
volume = "18",
pages = "213--??",
year = "1991",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Thomson:1991:TSS,
author = "C. Thomson and M. Cory and M. Zerner",
title = "Theoretical Studies of Some New Anti-Malarial Drugs",
journal = j-IJQC-BIO-SYMP,
volume = "18",
pages = "231--??",
year = "1991",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Konschin:1991:MMP,
author = "H. Konschin and M. Ekholm",
title = "Molecular Modeling of Pilocarpine Prodrugs: {A}
Theoretical Investigation of Pilocarpic Acid Esters",
journal = j-IJQC-BIO-SYMP,
volume = "18",
pages = "247--??",
year = "1991",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Rozas:1991:IAD,
author = "I. Rozas and G. A. Arteca and P. G. Mezey",
title = "On the Inhibition of Alcohol Dehydrogenase: Shape
Group Analysis of Molecular Electrostatic Potential on
{van der Waals} Surfaces for Some Pyrazole
Derivatives",
journal = j-IJQC-BIO-SYMP,
volume = "18",
pages = "269--??",
year = "1991",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{King:1991:DRI,
author = "J. W. King and R. J. Kassel",
title = "Dimensional Response of the Integrated Molecular
Transform",
journal = j-IJQC-BIO-SYMP,
volume = "18",
pages = "289--??",
year = "1991",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Richards:1991:EMC,
author = "N. G. J. Richards and P. B. Williams and M. S. Tute",
title = "Empirical Methods for Computing Molecular Partition
Coefficients. {I}. Upon the Need to Model the Specific
Hydration of Polar Groups in Fragment-Based
Approaches",
journal = j-IJQC-BIO-SYMP,
volume = "18",
pages = "299--??",
year = "1991",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Wang:1991:PFL,
author = "J. Wang and A. Pullman",
title = "A Program for Flexible Lattice Enegy Minimization
{(FLATER)} and Its Application to the Study of the
Protein-Lipid Copacking",
journal = j-IJQC-BIO-SYMP,
volume = "18",
pages = "317--??",
year = "1991",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Anonymous:1992:LP,
author = "Anonymous",
title = "List of Participants",
journal = j-IJQC-BIO-SYMP,
volume = "19",
pages = "ix",
year = "1992",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lowdin:1992:E,
author = "P.-O. L{\"o}wdin",
title = "Editorial",
journal = j-IJQC-BIO-SYMP,
volume = "19",
pages = "v",
year = "1992",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ohrn:1992:Ia,
author = "N. Y. {\"O}hrn and J. R. Sabin and M. C. Zerner",
title = "Introduction",
journal = j-IJQC-BIO-SYMP,
volume = "19",
pages = "vii",
year = "1992",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Wong:1992:MOS,
author = "L. Wong and G. R. Pack",
title = "Molecular Orbital Studies of the Hydrolysis Reactions
of Benzo[a]pyrene Diol Epoxides",
journal = j-IJQC-BIO-SYMP,
volume = "19",
pages = "1--??",
year = "1992",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ramek:1992:RPF,
author = "M. Ramek and V. K. W. Cheng",
title = "On the Role of Polarization Functions in {SCF}
Calculations of Glycine and Related Systems with
Intramolecular Hydrogen Bonding",
journal = j-IJQC-BIO-SYMP,
volume = "19",
pages = "15--??",
year = "1992",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Yu:1992:CIE,
author = "M. Yu and Q. Jiang and P. R. LeBreton",
title = "Configuration Interaction Effects on He{(I)}
Photoelectron Spectra of Nucleotide Bases: Evidence for
Valence Electron Hole-Mixing in {1,9-Dimethylguanine}",
journal = j-IJQC-BIO-SYMP,
volume = "19",
pages = "27--??",
year = "1992",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Leszczynski:1992:AGN,
author = "J. Leszczynski",
title = "Are the Amino Groups in the Nucleic Acid Bases
Coplanar with the Molecular Rings? Ab Initio {HF\slash}
{6-31Gsup} * and {MP2\slash} {6-21Gsup} * Studies",
journal = j-IJQC-BIO-SYMP,
volume = "19",
pages = "43--??",
year = "1992",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Brinck:1992:SEP,
author = "T. Brinck and J. S. Murray and P. Politzer",
title = "Surface Electrostatic Potentials of Halogenated
Methanes as Indicators of Directional Intermolecular
Interactions",
journal = j-IJQC-BIO-SYMP,
volume = "19",
pages = "57--??",
year = "1992",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Richards:1992:CMD,
author = "N. G. J. Richards and M. Cory",
title = "Computational Methods in the Design of Photocaged
Compounds {I}. Spectroscopic Calculations upon
Substituted Isochromenes",
journal = j-IJQC-BIO-SYMP,
volume = "19",
pages = "65--??",
year = "1992",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Pop:1992:TSH,
author = "E. Pop and M.-J. Huang and M. E. Brewster and N.
Bodor",
title = "A Theoretical Study of the Hydrolysis of Some
Sterically Hindered Phenolic Esters",
journal = j-IJQC-BIO-SYMP,
volume = "19",
pages = "77--??",
year = "1992",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Collins:1992:CCM,
author = "J. R. Collins and G. H. Loew",
title = "Comparison of Computational Models for Simulating Heme
Proteins: {A} Study of Cytochrome {C} Peroxidase",
journal = j-IJQC-BIO-SYMP,
volume = "19",
pages = "87--??",
year = "1992",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Duan:1992:MCP,
author = "X. Duan and S. Scheiner",
title = "Modeling of Coupled Proton Transfers by Analytic
Functions",
journal = j-IJQC-BIO-SYMP,
volume = "19",
pages = "109--??",
year = "1992",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Conrad:1992:QMC,
author = "M. Conrad",
title = "Quantum Molecular Computing: The Self-Assembly Model",
journal = j-IJQC-BIO-SYMP,
volume = "19",
pages = "125--??",
year = "1992",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{York:1992:ICI,
author = "D. M. York and T. Darden and D. Deerfield and L. G.
Pedersen",
title = "The Interaction of Na{(I)}, {Ca(II)}, and {Mg(II)}
Metal Ions with Duplex {DNA}: {A} Theoretical Modeling
Study",
journal = j-IJQC-BIO-SYMP,
volume = "19",
pages = "145--??",
year = "1992",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Palma:1992:ETA,
author = "R. Palma",
title = "Energy Transfer Along alpha-Helical Proteins",
journal = j-IJQC-BIO-SYMP,
volume = "19",
pages = "167--??",
year = "1992",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{King:1992:MTQ,
author = "J. W. King and R. J. Kassel",
title = "Molecular Transform Quantization of Enzyme Surface
Probes",
journal = j-IJQC-BIO-SYMP,
volume = "19",
pages = "179--??",
year = "1992",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Khutorsky:1992:SAR,
author = "V. E. Khutorsky",
title = "Structure-Activity Relationships of Ion Transport
Compounds",
journal = j-IJQC-BIO-SYMP,
volume = "19",
pages = "187--??",
year = "1992",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Timms:1992:ITL,
author = "D. Timms and A. J. Wilkinson and D. R. Kelly and K. J.
Broadley and R. H. Davies",
title = "Interactions of Tyrsup 377 in a Ligand-Activation
Model of Signal Transmission through betasub
1-Adrenoceptor alpha-Helices",
journal = j-IJQC-BIO-SYMP,
volume = "19",
pages = "197--??",
year = "1992",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Fri Jan 05 06:18:37 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lukovits:1992:CBC,
author = "I. Lukovits",
title = "Correlation Between Components of the Weiner Index and
Partition Coefficients of Hydrocarbons",
journal = j-IJQC-BIO-SYMP,
volume = "19",
pages = "217--??",
year = "1992",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Neto:1992:PMM,
author = "J. Delphino da Motta Neto and M. C. Zerner and R.
Bicca de Alencastro",
title = "A Possible Mechanism of Molecular Recognition for the
Reverse Transcriptase of {HIV-1}",
journal = j-IJQC-BIO-SYMP,
volume = "19",
pages = "225--??",
year = "1992",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Jacchieri:1992:EBH,
author = "S. G. Jacchieri",
title = "An Examination of the Basic Hypothesis of
{Zimm--Bragg} Theory Based on Energy Distributions of
Peptide Chains",
journal = j-IJQC-BIO-SYMP,
volume = "19",
pages = "255--??",
year = "1992",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ohrn:1993:Ia,
author = "N. Y. {\"O}hrn",
title = "Introduction",
journal = j-IJQC-BIO-SYMP,
volume = "20",
pages = "v",
year = "1993",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Koppenol:1993:ICO,
author = "W. H. Koppenol and L. Klasinc",
title = "Ab Initio Calculations on {ONOOH} and {ONOO$^-$}",
journal = j-IJQC-BIO-SYMP,
volume = "20",
pages = "1--??",
year = "1993",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Brewster:1993:HSS,
author = "M. E. Brewster and M.-J. Huang and E. Pop and N.
Bodor",
title = "Hydroxyl Stretching in Substituted Phenols: An {AM1}
Study",
journal = j-IJQC-BIO-SYMP,
volume = "20",
pages = "7--??",
year = "1993",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Pop:1993:TSD,
author = "E. Pop and M. E. Brewster and N. Bodor and M.-J
Huang",
title = "A Theoretical Study of the Dithionite Reduction of
Pyridinium Salts",
journal = j-IJQC-BIO-SYMP,
volume = "20",
pages = "17--??",
year = "1993",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Jakobsson:1993:HSM,
author = "E. Jakobsson",
title = "Hierarchies of Simulation Methods in Understanding
Biomolecular Function",
journal = j-IJQC-BIO-SYMP,
volume = "20",
pages = "25--??",
year = "1993",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Thu Jan 04 11:34:17 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Brown:1993:QMI,
author = "F. K. Brown and J. M. Veal",
title = "A Quantum Mechanical Investigation of the Annealing
Energy for Phosphodiester, Formacetal, and
Thioformacetal Backbones",
journal = j-IJQC-BIO-SYMP,
volume = "20",
pages = "37--??",
year = "1993",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Broch:1993:EPG,
author = "H. Broch and M. Msellem and R. Viani and D.
Vasilescu",
title = "Electrostatic Properties of Glutathione: {A} Quantum
Molecular Study",
journal = j-IJQC-BIO-SYMP,
volume = "20",
pages = "49--??",
year = "1993",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Larsson:1993:PMP,
author = "S. Larsson and M. Braga",
title = "Pathways and Mobile pi Electrons in Biological
Electron Transfer",
journal = j-IJQC-BIO-SYMP,
volume = "20",
pages = "65--??",
year = "1993",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Duan:1993:MPT,
author = "X. Duan and S. Scheiner and R. Wang",
title = "Modeling Proton Transfer Potentials in Angularly
Deformed Hydrogen Bonds",
journal = j-IJQC-BIO-SYMP,
volume = "20",
pages = "77--??",
year = "1993",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
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}
@Article{Cometta-Morini:1993:PTU,
author = "C. Cometta-Morini and C. Scharnagl and S. F. Fischer",
title = "Proton Transfer to Ubiquinone {Q}$_{B}$ in the
Photosynthetic Reaction Center of Rps. viridis: The
Role of Electrostatic Interactions",
journal = j-IJQC-BIO-SYMP,
volume = "20",
pages = "89--??",
year = "1993",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
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}
@Article{Neto:1993:SPT,
author = "J. D. Da Motta Neto and R. Bicca de Alencastro",
title = "On the Spectral Properties of Tryptamine Derivatives",
journal = j-IJQC-BIO-SYMP,
volume = "20",
pages = "107--??",
year = "1993",
CODEN = "IJQBDZ",
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}
@Article{Palma:1993:TIC,
author = "R. Palma",
title = "Temperature-Induced Changes in Protein Heat Capacity",
journal = j-IJQC-BIO-SYMP,
volume = "20",
pages = "117--??",
year = "1993",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Kim:1993:PER,
author = "H. S. Kim and P. R. LeBreton",
title = "Polarization Effects on the Reversible and Covalent
{DNA} Binding of Bay- and {$K$}-Region Metabolites of
Benzo[a]pyrene and Benz[a]anthracene",
journal = j-IJQC-BIO-SYMP,
volume = "20",
pages = "127--??",
year = "1993",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
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}
@Article{King:1993:IMT,
author = "J. W. King",
title = "The Inverse Molecular Transform Index: {A} Descriptor
for Molecular Similarity Analysis",
journal = j-IJQC-BIO-SYMP,
volume = "20",
pages = "139--??",
year = "1993",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
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}
@Article{Perez:1993:MDR,
author = "J. J. Perez and H. O. Villar and E. Uyeno and L. Toll
and C. Olsen",
title = "Molecular Determinants of Recognition and Activation
at the mu-Opioid Receptor by Met-enkephalin-Like
Peptides",
journal = j-IJQC-BIO-SYMP,
volume = "20",
pages = "147--??",
year = "1993",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
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}
@Article{Chang:1993:BFL,
author = "Y.-T. Chang and G. H. Loew and A. E. Rettie and T. A.
Baillie and P. R. Sheffels",
title = "Binding of Flexible Ligands to Proteins: Valproic Acid
and Its Interaction with Cytochrome {P450cam}",
journal = j-IJQC-BIO-SYMP,
volume = "20",
pages = "161--??",
year = "1993",
CODEN = "IJQBDZ",
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bibdate = "Wed Jan 3 14:24:13 MST 1996",
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}
@Article{Duan:1993:BIE,
author = "X. Duan and S. Scheiner",
title = "Behavior of Interaction Energy and Intramolecular Bond
Stretch in Linear and Bifuricated Hydrogen Bonds",
journal = j-IJQC-BIO-SYMP,
volume = "20",
pages = "181--??",
year = "1993",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Klasinc:1993:LRI,
author = "L. Klasinc and L. J. Pasa-Tolic and H. Spiegl and J.
V. Knop and S. P. McGlynn",
title = "Long-Range Interactions of Substituents in Steroidal
Molecules",
journal = j-IJQC-BIO-SYMP,
volume = "20",
pages = "191--??",
year = "1993",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Scharnagl:1993:RPA,
author = "C. Scharnagl and C. Cometta-Morini and S. F. Fischer",
title = "Reversible Photochemistry in the alpha-Subunit of
Phycoerythrocyanin: Characterization of Chromophore and
Protein by Electrostatic Calculations",
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volume = "20",
pages = "199--??",
year = "1993",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Pack:1993:CCT,
author = "G. R. Pack and G. Lamm",
title = "Counterion Condensation Theory Revisited: Limits on
Its Applicability",
journal = j-IJQC-BIO-SYMP,
volume = "20",
pages = "213--??",
year = "1993",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Urry:1994:PPH,
author = "D. W. Urry",
title = "Postulates for Protein (Hydrophobic) Folding and
Function",
journal = j-IJQC-BIO-SYMP,
volume = "21",
pages = "3--??",
year = "1994",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Wang:1994:IMD,
author = "J. Wang and A. Laaksonen and R. J. Boyd and R. Li",
title = "Ab Initio and Molecular Dynamics Study of
Dibenzotricyclic Calcium Antagonists: {A} Rigid Model
Approach",
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volume = "21",
pages = "17--??",
year = "1994",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
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bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Scharnagl:1994:PRP,
author = "C. Scharnagl and J. Hettenkofer and S. F. Fischer",
title = "Proton Release Pathway in Bacteriorhodopsin: Molecular
Dynamics and Electrostatic Calculations",
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volume = "21",
pages = "33--??",
year = "1994",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
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}
@Article{Culot:1994:CAP,
author = "C. Culot and F. Durant and D. H. Mosley and J.-M.
Andr{\'e}",
title = "Conformational Analyses of the Polymorphism of
Triglycerides",
journal = j-IJQC-BIO-SYMP,
volume = "21",
pages = "57--??",
year = "1994",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ramek:1994:ISI,
author = "M. Ramek",
title = "Ab Initio {SCF} Investigation of the Intramolecular
Hydrogen Bonding in -Aminohexanoic Acid",
journal = j-IJQC-BIO-SYMP,
volume = "21",
pages = "79--??",
year = "1994",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Lively:1994:HBN,
author = "T. N. Lively and M. W. Jurema and G. C. Shields",
title = "Hydrogen Bonding of Nucleotide Base Pairs: Application
of the {PM3} Method",
journal = j-IJQC-BIO-SYMP,
volume = "21",
pages = "95--??",
year = "1994",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Grigera:1994:MDS,
author = "J. R. Grigera and T. S. Grigera and E. I. Howard and
A. Podjarny",
title = "Molecular Dynamics Simulation of Crystal Water with
{X}-Ray Constraints",
journal = j-IJQC-BIO-SYMP,
volume = "21",
pages = "109--??",
year = "1994",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Bernardinelli:1994:CSS,
author = "G. Bernardinelli and C. W. Jefford and D. Maric and C.
Thomson",
title = "Computational Studies of the Structures and Properties
of Potential Antimalarial Compounds Based on the
{1,2,4-Trioxane} Ring Structure. {I}. Artemisinin-like
Molecules",
journal = j-IJQC-BIO-SYMP,
volume = "21",
pages = "117--??",
year = "1994",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Wilkinson:1994:DEA,
author = "A. J. Wilkinson and D. Timms and R. H. Davies and K.
J. Broadley",
title = "Distortion and Energetics in the Agonist Conformation
of Bound Phenoxypropanolamine Agents in the
{1-Adrenoceptor}",
journal = j-IJQC-BIO-SYMP,
volume = "21",
pages = "133--??",
year = "1994",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Pop:1994:SSD,
author = "E. Pop and M.-J. Huang and M. E. Brewster and N.
Bodor",
title = "Stability of the 1,3-Substituted 1,4-Dihydropyridines:
Substituent Effects on the Acid Catalyzed Hydration and
Oxidation Reactions",
journal = j-IJQC-BIO-SYMP,
volume = "21",
pages = "173--??",
year = "1994",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Huang:1994:QSI,
author = "M.-J. Huang and N. S. Bodor",
title = "Quantitative Structure-Inhibitory Activity
Relationships of Substituted Phenols on {{\em Bacillus
Subtilis}} Spore Germination",
journal = j-IJQC-BIO-SYMP,
volume = "21",
pages = "181--??",
year = "1994",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Rubin:1994:IST,
author = "Y. V. Rubin and Y. P. Blagoy and V. A. Bokovoy and V.
S. Leontiev",
title = "The Investigation of Structural Transitions and Energy
Transfer in {DNA} Solution in Range {4.2-273} {K} Using
6-Thioguanine",
journal = j-IJQC-BIO-SYMP,
volume = "21",
pages = "187--??",
year = "1994",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Watt:1994:CPT,
author = "D. E. Watt and A. S. Alkharam",
title = "Charged Particle Track Structure Parameters for
Application in Radiation Biology and Radiation
Chemistry",
journal = j-IJQC-BIO-SYMP,
volume = "21",
pages = "195--??",
year = "1994",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{King:1994:CPC,
author = "J. W. King",
title = "Correlation of the Partition Coefficient with the
Molecular Transform Index in Series of Organophosphorus
Compounds",
journal = j-IJQC-BIO-SYMP,
volume = "21",
pages = "209--??",
year = "1994",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Randic:1994:CFP,
author = "M. Randi{\'c}",
title = "Curve-Fitting Paradox",
journal = j-IJQC-BIO-SYMP,
volume = "21",
pages = "215--??",
year = "1994",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Naray-Szabo:1994:NDD,
author = "G. Naray-Szabo and G. Toth and G. G. Ferenczy and G.
Csonka",
title = "The Neglect of Diatomic Differential Overlap {(NDDO)}
Fragment Self-Consistent Field Method for the Treatment
of Very Large Covalent Systems",
journal = j-IJQC-BIO-SYMP,
volume = "21",
pages = "227--??",
year = "1994",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Ohrn:1995:I,
author = "Y. {\"O}hrn and J. R. Sabin and M. C. Zerner",
title = "Introduction",
journal = j-IJQC-BIO-SYMP,
volume = "22",
number = "??",
pages = "1--??",
month = "????",
year = "1995",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Pack:1995:TPF,
author = "G. R. Pack and L. Wong and G. Lamm",
title = "Theoretical Predictions of the Functional Interactions
of {DNA} and Mutagenic Aziridines",
journal = j-IJQC-BIO-SYMP,
volume = "22",
number = "??",
pages = "29--??",
month = "????",
year = "1995",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Bruno-Blanch:1995:QCQ,
author = "L. Bruno-Blanch and G. L. Estiu",
title = "Quantum Chemistry in {QSAR}: Anticonvulsivant Activity
of {VPA} Derivatives",
journal = j-IJQC-BIO-SYMP,
volume = "22",
number = "??",
pages = "39--??",
month = "????",
year = "1995",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Brummel:1995:SSB,
author = "H. A. Brummel and G. C. Shields",
title = "Semiempirical Study of the {Bergman} Reaction: Towards
a Computationally Efficient and Accurate Method for
Modeling the Enediyne Anticancer Antibiotics",
journal = j-IJQC-BIO-SYMP,
volume = "22",
number = "??",
pages = "51--??",
month = "????",
year = "1995",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Randic:1995:CCN,
author = "M. Randi{\'c}",
title = "On Characterization of the Conformations of
Nine-Membered Rings",
journal = j-IJQC-BIO-SYMP,
volume = "22",
number = "??",
pages = "61--??",
month = "????",
year = "1995",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ramek:1995:SIS,
author = "M. Ramek and S. Tomic and B. Kojic-Prodic",
title = "Systematic Ab Initio {SCF} Conformational Analysis of
Indol-3-(??)ylacetic Acid Phytohormone (Auxin):
Comparison with Experiment and Molecular Mechanics
Calculations",
journal = j-IJQC-BIO-SYMP,
volume = "22",
number = "??",
pages = "75--??",
month = "????",
year = "1995",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Sherer:1995:IPE,
author = "E. C. Sherer and G. M. Turner and G. C. Shields",
title = "Investigation of the Potential Energy Surface for the
First Step in the Alkaline Hydrolysis of Methyl
Acetate",
journal = j-IJQC-BIO-SYMP,
volume = "22",
number = "??",
pages = "83--??",
month = "????",
year = "1995",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Mouesca:1995:DFC,
author = "J.-M. Mouesca and L. Noodleman and D. A. Case",
title = "Density-Functional Calculations of Spin Coupling in
{(Fe$_4$S$_4$)$^{3+}$} Clusters",
journal = j-IJQC-BIO-SYMP,
volume = "22",
number = "??",
pages = "95--??",
month = "????",
year = "1995",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Turner:1995:CEP,
author = "G. M. Turner and E. C. Sherer and G. C. Shields",
title = "A Computationally Efficient Procedure for Modeling the
First Step in the Alkaline Hydrolysis of Esters",
journal = j-IJQC-BIO-SYMP,
volume = "22",
number = "??",
pages = "103--??",
month = "????",
year = "1995",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Holmen:1995:TIS,
author = "A. Holmen and A. Broo",
title = "A Theoretical Investigation of the Solution
{N}(7){H}<->{N}(9){H} Tautomerism of Adenine",
journal = j-IJQC-BIO-SYMP,
volume = "22",
number = "??",
pages = "113--??",
month = "????",
year = "1995",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Alencastro:1995:TSN,
author = "R. B. de Alencastro and J. D. da {Motta Neto}",
title = "Theoretical Studies on Nonsteroidal Antiinflammatory
Drugs Benoxaprofen, Chlorpromazine, and Piroxicam",
journal = j-IJQC-BIO-SYMP,
volume = "22",
number = "??",
pages = "123--??",
month = "????",
year = "1995",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Pop:1995:HSA,
author = "E. Pop and M.-J. Huang and M. Bodor and M. E.
Brewster",
title = "Hydrolytic Stability of Allylic and Phenolic Esters of
Some Synthetic Cannabinoids: {A} Theoretical {(AM1)}
Study",
journal = j-IJQC-BIO-SYMP,
volume = "22",
number = "??",
pages = "137--??",
month = "????",
year = "1995",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Starikov:1995:TDC,
author = "E. B. Starikov",
title = "Three-Dimensional Crystal Orbital Calculations on
Mononucleotide Crystallohydrates. {II}. Diprotonated
Mononucleotides",
journal = j-IJQC-BIO-SYMP,
volume = "22",
number = "??",
pages = "145--??",
month = "????",
year = "1995",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Stavrev:1995:AIS,
author = "K. K. Stavrev and M. C. Zerner",
title = "Absorption and Ionization Spectra of Model
Rubredoxins",
journal = j-IJQC-BIO-SYMP,
volume = "22",
number = "??",
pages = "155--??",
month = "????",
year = "1995",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Brewster:1995:RRD,
author = "M. E. Brewster and M.-J. Huang and C. Browne and M.
Bodor and E. Pop and A. T. Balaban",
title = "Relative Reactivity of 1,4- and {1,6-Dihydronicotinic}
Acid Derivatives to Radically Mediated Oxidation ---
{A} Theoretical and Experimental Evaluation",
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volume = "22",
number = "??",
pages = "161--??",
month = "????",
year = "1995",
CODEN = "IJQBDZ",
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bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Huang:1995:NRC,
author = "M.-J. Huang and D. Doerge and M. Bodor and E. Pop and
M. E. Brewster",
title = "Nitrogen Radical Cations as Intermediates in
Enzymatically Mediated Oxidative
Deaminations-Application of Molecular Parametric
Models",
journal = j-IJQC-BIO-SYMP,
volume = "22",
number = "??",
pages = "171--??",
month = "????",
year = "1995",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Sat May 17 16:05:48 MDT 1997",
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}
@Article{Albuquerque:1995:DNP,
author = "M. G. Albuquerque and C. R. Rodrigues and R. B. de
Alencastro and E. J. Barreiro",
title = "Design of New Potential {5-Lipoxygenase} Inhibitors,
Dual Thromboxane Synthase Inhibitors, and Thromboxane
{A2} Receptor Antagonists by {AM1}",
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volume = "22",
number = "??",
pages = "181--??",
month = "????",
year = "1995",
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bibdate = "Sat May 17 16:05:48 MDT 1997",
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}
@Article{vonSzentpaly:1995:MIP,
author = "L. {von Szentpaly} and I. L. Shamovsky",
title = "Modeling Intercalated {PAH} Metabolites: Explanation
for the Bay Region Methyl Effect",
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volume = "22",
number = "??",
pages = "191--??",
month = "????",
year = "1995",
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bibdate = "Sat May 17 16:05:48 MDT 1997",
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}
@Article{Molnar:1995:SPC,
author = "S. P. Molnar and J. W. King",
title = "{Structure-pKa} Correlation via the Integrated
Molecular Transform",
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volume = "22",
number = "??",
pages = "201--??",
month = "????",
year = "1995",
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bibdate = "Sat May 17 16:05:48 MDT 1997",
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}
@Article{Florian:1995:WCO,
author = "J. Florian and J. Leszcynski",
title = "What Changes Occur in Vibrational Spectra of Guanine
and Cytosine When They Form the {Watson--Crick} Base
Pair? {A} Quantum Chemical {SCRF HF\slash 6-31 G*}
Study",
journal = j-IJQC-BIO-SYMP,
volume = "22",
number = "??",
pages = "207--??",
month = "????",
year = "1995",
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bibdate = "Sat May 17 16:05:48 MDT 1997",
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}
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author = "Anonymous",
title = "Diskette Submission Instructions",
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volume = "23",
number = "??",
pages = "vii--??",
month = "????",
year = "1996",
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bibdate = "Sat May 17 16:05:48 MDT 1997",
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}
@Article{Anonymous:1996:PS,
author = "Anonymous",
title = "Published Symposia",
journal = j-IJQC-BIO-SYMP,
volume = "23",
number = "??",
pages = "i--??",
month = "????",
year = "1996",
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bibdate = "Sat May 17 16:05:48 MDT 1997",
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}
@Article{Ramek:1996:CISc,
author = "M. Ramek and S. Tomic and B. Kojic-Prodic",
title = "Comparative Ab Initio {SCF} Conformational Study of
4-Chloro-indole-3-acetic Acid and Indole-3-acetic Acid
Phytohormones (Auxins)",
journal = j-IJQC-BIO-SYMP,
volume = "23",
number = "??",
pages = "3--??",
month = "????",
year = "1996",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Sat May 17 16:05:48 MDT 1997",
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}
@Article{Kim:1996:UPIc,
author = "M. S. Kim and Q. Jiang and P. R. LeBreton",
title = "{UV} Photoelectron and Ab Initio Quantum Mechanical
Characterization of Nucleotides: The Valence Electronic
Structure of Anionic 2'-Deoxyadenosine-5'-phosphate",
journal = j-IJQC-BIO-SYMP,
volume = "23",
number = "??",
pages = "11--??",
month = "????",
year = "1996",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Sat May 17 16:05:48 MDT 1997",
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}
@Article{Broch:1996:IMIc,
author = "H. Broch and A. Hamza and D. Vasilescu",
title = "Ab Initio Modeling of the Interaction Between
Guanine-Cytosine Base Pair and Mustard Alkylating
Agents",
journal = j-IJQC-BIO-SYMP,
volume = "23",
number = "??",
pages = "21--??",
month = "????",
year = "1996",
CODEN = "IJQBDZ",
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bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Maran:1996:CAIc,
author = "U. Maran and M. Karelson and A. R. Katritzky",
title = "A Comparative {AM1} and Ab Initio Study of the
Intramolecular Proton Transfer in Tautomeric Organic
Compounds",
journal = j-IJQC-BIO-SYMP,
volume = "23",
number = "??",
pages = "41--??",
month = "????",
year = "1996",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Brewster:1996:ABMc,
author = "M. E. Brewster and E. Pop and M.-J. Huang and M.
Bodor",
title = "{AM1}-Based Model System for Estimation of Brain\slash
Blood Concentration Ratios",
journal = j-IJQC-BIO-SYMP,
volume = "23",
number = "??",
pages = "51--??",
month = "????",
year = "1996",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Priyadarshy:1996:DDHc,
author = "S. Priyadarshy and D. N. Beratan and S. M. Risser",
title = "{DNA} Double-Helix-Mediated Long-Range Electron
Transfer",
journal = j-IJQC-BIO-SYMP,
volume = "23",
number = "??",
pages = "65--??",
month = "????",
year = "1996",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Bagdassarian:1996:QMMc,
author = "C. K. Bagdassarian and B. B. Braunheim and V. L.
Schramm and S. D. Schwartz",
title = "Quantitative Measures of Molecular Similarity: Methods
to Analyze Transition-State Analogs for Enzymatic
Reactions",
journal = j-IJQC-BIO-SYMP,
volume = "23",
number = "??",
pages = "73--??",
month = "????",
year = "1996",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Schramm:1996:ETSc,
author = "V. L. Schramm and B. A. Horenstein and C. K.
Bagdassarian and S. D. Schwartz and P. J. Berti and K.
A. Rising and J. Scheuring and P. C. Kline and D. W.
Parkin and D. J. Merkler",
title = "Enzymatic Transition States and Inhibitor Design from
Principles of Classical and Quantum Chemistry",
journal = j-IJQC-BIO-SYMP,
volume = "23",
number = "??",
pages = "81--??",
month = "????",
year = "1996",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Jacchieri:1996:CECc,
author = "S. G. Jacchieri and M. Gomes and A. C. M. Camargo and
L. Juliano",
title = "Cross Examination of the Conformational Spaces of a
Set of Peptide Chains: Study of Oligopeptidase Action",
journal = j-IJQC-BIO-SYMP,
volume = "23",
number = "??",
pages = "91--??",
month = "????",
year = "1996",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Pop:1996:ARTc,
author = "E. Pop and S. Rachwal and M. E. Brewster",
title = "Allylic Rearrangement of trans-Pinocarveol Esters",
journal = j-IJQC-BIO-SYMP,
volume = "23",
number = "??",
pages = "105--??",
month = "????",
year = "1996",
CODEN = "IJQBDZ",
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bibdate = "Sat May 17 16:05:48 MDT 1997",
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}
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author = "C. M. R. {De Sant'Anna} and R. Bicca De Alencastro and
C. R. Rodrigues and G. Barreiro and E. J. Barreiro and
J. D. Da Motta Neto and A. C. C. Freitas",
title = "A Semiempirical Study of Pyrazole Acylhydrazones as
Potential Antimalarial Agents",
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volume = "23",
number = "??",
pages = "111--??",
month = "????",
year = "1996",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Molnar:1996:CDTc,
author = "S. P. Molnar and J. W. King",
title = "Correlation of Dermal Transport with Structure via the
Integrated Molecular Transform",
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volume = "23",
number = "??",
pages = "121--??",
month = "????",
year = "1996",
CODEN = "IJQBDZ",
ISSN = "0360-8832",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
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author = "M. Randi{\'c} and G. Krilov",
title = "Bond Profiles for Cuboctahedron and Twist
Cuboctahedron",
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volume = "23",
number = "??",
pages = "127--??",
month = "????",
year = "1996",
CODEN = "IJQBDZ",
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bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
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author = "P. O. L{\"o}wdin",
title = "Editorial",
journal = j-IJQC-QC-SYMP,
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pages = "xi",
year = "1990",
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bibdate = "Wed Jan 3 14:24:13 MST 1996",
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}
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author = "N. Y. {\"O}hrn and J. R. Sabin and M. C. Zerner",
title = "Introduction",
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author = "G. A. Arteca and P. G. Mezey",
title = "A Quantitative Approach to Structural Similarity from
Molecular Topology of Reaction Paths",
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author = "J. Cioslowski",
title = "Isopycnic Orbital Transformations and Localization of
Natural Orbitals",
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author = "I. Papai and A. St-Amant and J. Ushio and D. Salahub",
title = "Calculation of Equilibrium Geometries and Harmonic
Frequencies by the {LCGTO-MCP-Local} Spin Density
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pages = "29--??",
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author = "K. Akagi and T. Kadokura and H. Shirakawa and H.
Teramae and A. Imamura",
title = "Geometrical and Electronic Structures of Polyacetylene
Chlorinated via Prolonged Chemical Doping",
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volume = "24",
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author = "W. A. Sokalski and P. B. Keegstra and S. Roszak and J.
J. Kaufman",
title = "Cumulative Atomic Multiple Moments for Molecular
Crystals from Ab-Initio Crystal Orbital Wave Functions
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{MRD-CI} Wave Functions",
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author = "J.-M. Andr{\'e}",
title = "Orbital Symmetry and Orbital Interactions in Polymeric
Band Structures: Examples of Polyethylene and
Polysilane",
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volume = "24",
pages = "65--??",
year = "1990",
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}
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author = "P. Csavinszky",
title = "Addendum to: ``{A} Variational Density-Functional
Calculation of the Total Atomic Binding Energy with
Recently Proposed Kinetic-Energy and Exchange-Energy
Functionals''",
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volume = "24",
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year = "1990",
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author = "R. R. Contreras and A. J. Aizman",
title = "Theory of Molecular Orbital Energy Shifting Induced by
Electrostatic External Effects",
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year = "1990",
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author = "J. L. Villaveces and E. E. C. Daza",
title = "On the Topological Approach to the Concept of Chemical
Structure",
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year = "1990",
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author = "B. J. Duke and B. O'Leary",
title = "On the Feasibility of Using Ab Initio Calculations,
both Crystal Orbital and Molecular Orbital, to Predict
{XPS} Chemical Shifts in Fluorinated Polyethylenes",
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volume = "24",
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year = "1990",
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author = "J. E. Harriman",
title = "{$N$}-Representability of Phase Space Functions for
Electrons",
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author = "A. Karpfen",
title = "Ab Initio Studies on Hydrogen-Bonded Clusters:
Structure and Vibrational Spectra of Cyclic {(HF)$_n$}
Complexes",
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pages = "129--??",
year = "1990",
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@Article{Jones:1990:DFC,
author = "R. O. Jones and D. Hohl",
title = "Density Functional Calculations with Simulated
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Se], Sesub 8, Osub 8",
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volume = "24",
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author = "D. D. Shillady and S. Cutler and L. F. Jones and L. B.
Kier",
title = "A Molecular Orbital Valence Bond Study of {3-Methyl}
Sydnone and {3-Methyl} Pseudosydnone",
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volume = "24",
pages = "153--??",
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@Article{Czerminski:1990:SAW,
author = "R. Czerminski and R. Elber",
title = "Self-Avoiding Walk Between Two Fixed Points as a Tool
to Calculate Reaction Paths in Large Molecular
Systems",
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volume = "24",
pages = "167--??",
year = "1990",
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author = "T. M. Wilson",
title = "Electronic Structure of the {V$^{2+}$} Impurity States
in {ZnSe}",
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volume = "24",
pages = "187--??",
year = "1990",
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author = "R. F. Bishop and J. S. Arponen",
title = "Correlations in Extended Systems: {A} Microscopic
Multilocal Method for Describing Both Local and Global
Properties",
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volume = "24",
pages = "197--??",
year = "1990",
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author = "M. Flocco and X. Q. Gao and L. Massa",
title = "A Study of the {Colle--Salvetti} Formula for the
Calculation of the Correlation Energy",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "213--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
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}
@Article{Ross:1990:IMM,
author = "R. B. Ross and W. C. Ermler and V. Luana and R. M.
Pitzer and C. W. Kern",
title = "Ab Initio Models for Be$_{81}$ and Be$_{87}$ Metal
Clusters",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "225--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Sekino:1990:RCC,
author = "H. Sekino and R. J. Bartlett",
title = "Relativistic Coupled Cluster Calculations on Neutral
and Highly Ionized Atoms",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "241--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Teleman:1990:ESR,
author = "O. Teleman and A. Wallqvist",
title = "Ewald Summation Retards Translational Motion in
Molecular Dynamics Simulation of Water",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "245--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Graovac:1990:EQI,
author = "A. Graovac and D. Babi{\'c}",
title = "The Evaluation of Quantum Indices by the Method of
Moments",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "251--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Simons:1990:SWP,
author = "J. Simons and J. Nichols",
title = "Strategies for Walking on Potential Energy Surfaces
Using Local Quadratic Approximations",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "263--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Karo:1990:SDS,
author = "A. M. Karo and T. M. Deboni and J. R. Hardy and G. A.
Weiss",
title = "Shock Dynamics in the Sub-Nanometer Femtosecond
Domain",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "277--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Kaldor:1990:VFG,
author = "U. Kaldor",
title = "Vibrational Frequencies and Geometry of {N}$_3$ and
{{N}$_3$}$^{---}$ the Coupled-Cluster Method",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "291--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ribbing:1990:SNC,
author = "C. Ribbing and M. Odelius and A. Laaksonen and J.
Kowalewski and B. Roos",
title = "Simple Nonempirical Calculations of the Zero-Field
Splitting in Transition Metal Systems: {I}. The
{Ni(II)} --- Water Complexes",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "295--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Mola:1990:IST,
author = "E. E. Mola and J. L. Vicente",
title = "Image States in Thin Metal Films: {I}. Beryllium
Films",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "311--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Brink:1990:SRC,
author = "H. Brink and P. Winkler",
title = "{Siegert} Resonance Calculations --- Real and
Divergence-Free",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "321--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Thu Jan 04 13:04:37 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Thakkar:1990:LDF,
author = "A. J. Thakkar and W. A. Pedersen",
title = "Local Density Functional Approximations and
Conjectured Bounds for Momentum Moments",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "327--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Schwarz:1990:CDE,
author = "K. Schwarz and P. Blaha and C. Ambrosch-Draxl",
title = "Charge Distribution and Electric Field Gradients in
{YBasub} 2 Cu$_3$ Osub 7 by Band Structure
Calculations",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "339--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Steinborn:1990:MTQ,
author = "E. O. Steinborn and H. H. H. Homeier",
title = "{M{\"o}bius}-Type Quadrature of Electron Repulsion
Integrals with {B} Functions",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "349--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{DelBene:1990:CTM,
author = "J. E. {Del Bene} and I. Shavitt",
title = "Comparison of Theoretical Methods for the
Determination of the Lisup + Affinities of Neutral and
Anionic First- and Second-Row Bases",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "365--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Garcia-Sucre:1990:RVR,
author = "M. Garcia-Sucre and V. Mujica",
title = "Regional Virial Relations for Arbitrary Subsystems of
Particles of a Molecule with Nuclear Motion Quantum
Mechanically Described",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "375--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ishikawa:1990:ADF,
author = "Y. Ishikawa",
title = "Atomic {Dirac--Fock--Breit} Self-Consistent Field
Calculations",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "383--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Cederbaum:1990:GFT,
author = "L. S. Cederbaum",
title = "On {Green}'s Functions and Their Applications",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "393--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Jones:1990:MMI,
author = "H. W. Jones and B. Etemadi",
title = "Multicenter Molecular Integrals Using Harmonic
Expansions of {Slater}-Type Orbitals and Numerical
Integrations",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "405--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Mota:1990:TSP,
author = "F. De Brito Mota and A. Ferreira Da Silva",
title = "A Theoretical Study to a Polarization Catastrophe in
Doped Semiconductors",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "411--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Krishna:1990:TAD,
author = "K. M. Krishna and V. A. Pai and V. R. Marathe and M.
Sharon and M. K. Mishra",
title = "A Theoretical Approach to the Design of Reduced Band
Gap Noncorrosive Electrodes for Photoelectrochemical
Solar Cells",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "419--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Farantos:1990:CDA,
author = "S. C. Farantos and J. M. Gomez Llorente and O. Hahn
and H. S. Taylor",
title = "Classical Dynamical Analysis of the Vibrational
Spectra for Small Polyatomic Molecules",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "429--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Scolfaro:1990:ITS,
author = "L. M. R. Scolfaro and C. A. C. Mendonca and E. A.
Menezes and J. M. V. Martins and J. R. Leite",
title = "Interband Transitions of {Sidelta}-Doped Layers in
{p-Type} {GaAs}",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "447--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{DelBene:1990:TSC,
author = "J. E. {Del Bene} and E. A. Stahlberg and I. Shavitt",
title = "A Theoretical Study of the Complexes of {N}$_2$ {O}
with Hsup +, Lisup +, and {HF} Using Various
Correlation Methods",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "455--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Neto:1990:TDF,
author = "J. J. Soares Neto and S. B. Padkjoer and J.
Linderberg",
title = "Two Different Finite Element Schemes Applied to
Quantum Mechanical Calculations",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "467--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Scoles:1990:PIF,
author = "G. Scoles",
title = "On the Prediction of Intermolecular Forces between
Unlike Atoms and Molecules",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "475--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Sandoval:1990:OCM,
author = "L. Sandoval and A. Palma",
title = "One-Center Matrix Elements for the {Morse}
Oscillator",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "481--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Parkinson:1990:TPT,
author = "W. A. Parkinson and P. W. Sengelov and J. Oddershede",
title = "Two-Photon Transition Moments as Determined from the
Quadratic Response Function",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "487--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Meath:1990:RIA,
author = "W. J. Meath and A. Kumar",
title = "Reliable Isotropic and Anisotropic Dipolar Dispersion
Energies, Evaluated Using Constrained Dipole Oscillator
Strength Techniques, with Application to Interactions
Involving {H$_2$}, {N$_2$}, and the Rare Gases",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "501--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Michels:1990:SSM,
author = "H. H. Michels and J. M. Wadehra",
title = "Structure and Stability of {$Li_x H_y$} Molecules and
Anions",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "521--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 17:59:08 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Adams:1990:PTI,
author = "W. H. Adams",
title = "Perturbation Theory of Intermolecular Interactions:
What is the Problem, Are There Solutions?",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "531--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Tran:1990:DSW,
author = "P. X. Tran and D. W. Brenner and C. T. White",
title = "Dynamics of Solitary Waves Induced by Shock Impulses
in a Linear Atomic Chain",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "549--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Csavinszky:1990:ISG,
author = "P. Csavinszky",
title = "Investigation of the Spatial Generalization of
{Kato}'s Theorem by a Variational Density-Functional
Approach",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "557--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Caldas:1990:AAD,
author = "M. J. Caldas and A. Fazzio and J. Dabrowski and M.
Scheffler",
title = "Anion-Antisite Defects in {GaAs}: {As} and {Sb}",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "563--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Sahni:1990:QMI,
author = "V. Sahni and M. K. Harbola",
title = "Quantum-Mechanical Interpretation of the Local
Many-Body Potential of Density-Functional Theory",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "569--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Lin:1990:EPT,
author = "J. S. Lin and J. V. Ortiz",
title = "Electron Propagator Test of Atomic Natural Orbital
Basis Sets",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "585--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Fripiat:1990:DRP,
author = "J. G. Fripiat and J. Dellhalle and J.-M. Andr{\'e}
and J. L. Calais",
title = "Dependence of {RHF} Properties of Hydrogen and Helium
Chains on the Exchange Lattice Summations",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "593--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Kunz:1990:CMS,
author = "A. B. Kunz",
title = "Cluster Modeling of Solid State Defects and
Adsorbates: Beyond the {Hartree--Fock} Level",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "607--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{March:1990:MBF,
author = "N. H. March",
title = "Molecular Binding in Free Space and in Cold Dense
Plasmas",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "621--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Hopfield:1990:DNN,
author = "J. J. Hopfield",
title = "Dynamics and Neural Network Computation",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "633--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Murray:1990:ALI,
author = "J. S. Murray and J. M. Seminario and P. Politzer and
P. Sjoberg",
title = "Average Local Ionization Energies Computed on the
Surfaces of Some Strained Molecules",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "645--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Recamier:1990:AMS,
author = "J. A. R{\'e}camier",
title = "An Algebraic Method for the Study of Collisions with
an Anharmonic Oscillator",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "655--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Cundari:1990:AH,
author = "T. R. Cundari and R. S. Drago",
title = "Alkane Hydroxylations",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "665--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Reynolds:1990:OLZ,
author = "P. J. Reynolds",
title = "Overcoming the Large-{Z} Problem in Quantum {Monte
Carlo}",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "679--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Godby:1990:ECD,
author = "R. W. Godby and R. J. Needs and B. Farid",
title = "Exchange and Correlation in Density-Functional Theory
and Quasiparticle Theory",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "681--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Duch:1990:TCI,
author = "W. Duch",
title = "Towards a Configuration Interaction Method with
Flexible Spaces",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "683--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
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}
@Article{Krakauer:1990:ESE,
author = "H. Krakauer and R. E. Cohen and W. E. Pickett",
title = "Evidence of Strong Electron-Phonon Coupling in the
High ${T}_c$ Copper Oxide Superconductors",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "693--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat Aug 17 16:21:48 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Tal:1990:MSG,
author = "Y. Tal and J. Herzfeld",
title = "Multicenter Spherical {Gaussian} Expansion of
Molecular Orbital Wavefunctions",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "701--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Oliveira:1990:EDF,
author = "L. N. Oliveira and E. K. U. Gross and W. Kohn",
title = "Ensemble-Density Functional Theory for Excited
States",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "707--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Bardo:1990:CEL,
author = "R. D. Bardo",
title = "Coupling of Electrons and Lattice Wave Packets in
Superconducting Metastable States Formed at High
Pressure",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "717--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Kofranek:1990:SFF,
author = "M. Kofranek and A. Karpfen and H. Lischka",
title = "A Scaled Force Field for Polyenes Derived from Ab
Initio Calculations Including Electron Correlation
Effects",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "721--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Fri Jan 05 06:20:51 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{McWeeny:1990:VBT,
author = "R. McWeeny",
title = "Valence Bond Theory: Progress and Prospects",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "733--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Vergenz:1990:IED,
author = "R. A. Vergenz and W. H. Adams",
title = "Interaction Energies of Diatomic Molecules Using
Partial Antisymmetry and {Hartree--Fock} Atomic Wave
Functions",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "753--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Thu Jan 04 11:33:48 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Schuch:1990:NLH,
author = "D. Schuch",
title = "A New {Lagrange--Hamilton} Formalism for Dissipative
Systems",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "767--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Runge:1990:TDM,
author = "K. Runge and D. A. Micha and E. Q. Feng",
title = "A Time-Dependent Molecular Orbital Approach to
Electron Transfer in Ion-Atom Collisions",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "781--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Kurtz:1990:SCH,
author = "H. A. Kurtz",
title = "Semiempirical Calculation of the Hyperpolarizabilities
of Polyenes",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "791--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Tolic:1990:PSB,
author = "Lj. P. Tolic and B. Kovac and L. Klasinc and S. M.
Shevchenko and S. P. McGlynn",
title = "Photoelectron Spectroscopy of Biologically Active
Molecules 20. para-Quinones, Semiquinones, and Aromatic
Ketones",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "799--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Klasinc:1990:PSB,
author = "L. Klasinc and S. P. McGlynn",
title = "Photoelectron Spectroscopy of Biologically Active
Molecules 21. Thiooxamides",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "813--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Kim:1990:ENS,
author = "H. J. Kim and J. T. Hynes",
title = "Equilibrium and Nonequilibrium Solvation and Solute
Electronic Structure",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "821--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Smeyers:1990:DSS,
author = "Y. G. Smeyers and M. L. Senent and D. C. Moule",
title = "Dynamic and Spectroscopic Studies of Nonrigid
Molecules: Application to the Thioacetone Electronic
Ground State",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "835--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Friedman:1990:TDE,
author = "P. Friedman and K. F. Ferris",
title = "Theoretically-Derived, Energy-Based Criteria for
Aromaticity",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "843--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Mintmire:1990:GOM,
author = "J. W. Mintmire",
title = "Geometry Optimization of Molecules within an {LCGTO}
Local-Density Functional Approach",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "851--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Champagne:1990:MCP,
author = "B. Champagne and J.-M. Andr{\'e}",
title = "Model Calculations of Polarizabilities of Polyene
Chains: Oligomers and Infinite Polymers",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "859--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Wu:1990:MDA,
author = "J. Z. Wu and J. R. Sabin and S. B. Trickey and J. C.
Boettger",
title = "Mono- and Dilayer Analogues of Crystalline Atomic
Hydrogen",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "873--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Klotz:1990:HBF,
author = "I. M. Klotz",
title = "How to Become Famous by Being Wrong in Science",
journal = j-IJQC-QC-SYMP,
volume = "24",
pages = "881--??",
year = "1990",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lowdin:1991:E,
author = "P. O. L{\"o}wdin",
title = "Editorial",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "ix",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ohrn:1991:Ib,
author = "N. Y. {\"O}hrn and J. R. Sabin and M. C. Zerner",
title = "Introduction",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "xi",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lipscomb:1991:MSFb,
author = "William N. Lipscomb",
title = "Molecular Structure and Function",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "1--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Piecuch:1991:SCC,
author = "Piotr Piecuch and Josef Paldus",
title = "On the Solution of Coupled-Cluster Equations in the
Fully Correlated Limit of Cyclic Polyene Model",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "9--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ortiz:1991:RGS,
author = "J. V. Ortiz",
title = "Renormalized Ground States in Electron Propagator
Theory",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "35--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Zhi:1991:ACC,
author = "He Zhi and Dieter Cremer",
title = "Analysis of Coupled Cluster and Quadratic
Configuration Interaction Theory in Terms of
Sixth-Order Perturbation Theory",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "43--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Adamowicz:1991:OSO,
author = "Ludwik Adamowicz",
title = "Optimized Second-Order Correlation Orbital Manifold
for Single Excitations in the Coupled-Cluster Method",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "71--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Cioslowski:1991:MSO,
author = "Jerzy Cioslowski and Matt Challacombe",
title = "Maximum Similarity Orbitals for Analysis of the
Electronic Excited States",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "81--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Fernandez:1991:BEQ,
author = "Francisco M. Fernandez",
title = "Bounds to the Energy of Quantum-Mechanical Models from
Variational Functionals",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "95--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Rodriguez:1991:STD,
author = "Wilfredo Rodriguez",
title = "Solution of the Time-Dependent {Schr{\"o}dinger}
Equation Using a Continuous {Fourier} Transform",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "107--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ishikawa:1991:EBS,
author = "Yasuyuki Ishikawa",
title = "Effects of Basis Set Contraction on Relativistic and
Breit Interaction Energies",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "113--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lohr:1991:RPE,
author = "Lawrence L. Lohr",
title = "Relativistically Parameterized Extended Huckel
Calculations 13. Energy Bands for Uranium Compounds
{UBsub} 2, {UBsub} 4, {UC}, {UBC}, and {UPtsub} 3",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "121--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Visscher:1991:KBC,
author = "L. Visscher and P. J. C. Aerts and O. Visser and W. C.
Nieuwpoort",
title = "Kinetic Balance in Contracted Basis Sets for
Relativistic Calculations",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "131--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Broeckhove:1991:STD,
author = "J. Broeckhove and B. Feyen and L. Lathouwers",
title = "Sensitivity of Time-Dependent Vibrational Dynamics to
Curve-Crossing Topology",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "141--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Morales:1991:LOC,
author = "J. Morales and J. J. Pena and M. Sanchez and J.
Lopez-Bonilla",
title = "Ladder Operators for Central Potential Wave Functions
from the Algebraic Representation of Orthogonal
Polynomials",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "155--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Adams:1991:PTI,
author = "William H. Adams",
title = "Perturbation Theory of Intermolecular Interactions:
Are Second-Order {Rayleigh--Schr{\"o}dinger} Energies
Meaningful?",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "165--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Malinsky:1991:ETM,
author = "J. Malinsky and Y. Magarshak",
title = "Electron Transfer in Macromolecules: {Green}'s
Function and Diagrammatic Techniques (Continued
Fraction Representation)",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "183--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Cullen:1991:EEB,
author = "John M. Cullen",
title = "An Examination of the Effects of Basis Set and Charge
Transfer in Hydrogen-Bonded Dimers with a Constrained
{Hartree--Fock} Method",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "193--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Cizek:1991:SCP,
author = "J. Cizek and F. Vinette and E. J. Weniger",
title = "Symbolic Computation in Physics and Chemistry:
Applications of the Inner Projection Technique and of a
New Summation Method for Divergent Series",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "209--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Poshusta:1991:AME,
author = "R. D. Poshusta",
title = "Algebrants in Many Electron Quantum Mechanics. {II}.
New Computational Algorithms",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "225--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Slamet:1991:ADG,
author = "Marlina Slamet and Viraht Sahni",
title = "Analysis of the Density-Gradient-Expansion
Approximation for the Exchange-Correlation Energy of
Density-Functional Theory",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "235--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Seminario:1991:CMG,
author = "Jorge M. Seminario and Monica C. Concha and Peter
Politzer",
title = "Calculation of Molecular Geometries and Energies by a
Local Density Functional Approach",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "249--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Csavinszky:1991:CTA,
author = "P. Csavinszky",
title = "Calculation of the Total Atomic Binding Energy with
Recently Proposed Kinetic-, Exchange-, and
Correlation-Energy Functionals",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "261--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Dixon:1991:ALD,
author = "David A. Dixon and Anthony J. Arduengo",
title = "Application of Local Density Functional Theory to
Molecules Containing a Hypervalent Bond",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "269--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Contreras:1991:ISE,
author = "Renato R. Contreras and Arie J. Aizman",
title = "Ion Solvation Energies from Density Functional
Theory",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "281--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Gross:1991:DFT,
author = "E. K. U. Gross and Stefan Kurth",
title = "Density-Functional Theory of the Superconducting
State",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "289--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Tully:1991:NMD,
author = "John C. Tully",
title = "Nonadiabatic Molecular Dynamics",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "299--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Banerjee:1991:PIA,
author = "Ajit Banerjee and Noah P. Adams",
title = "Path Integral Approach to Chemical Dynamics: {A} Test
Case of {H} + {O}$_2$ darlr {OH} + {O} Reaction",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "311--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Pop:1991:ESB,
author = "Emil Pop and Huang Ming-Ju and Simion Matei and Marcus
E. Brewster and Nicholas Bodor",
title = "Electrophilic Substitution in the Benzofuran Series:
{A} Theoretical {(AM1)} Study",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "325--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Xincai:1991:SAA,
author = "Luo Xincai and Gustavo A. Arteca and Paul G. Mezey",
title = "Shape Analysis along Reaction Paths of Ring Opening
Reactions",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "335--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Emery:1991:IDW,
author = "Luke C. Emery and W. Daniel Edwards",
title = "Intermolecular Dynamics for Weakly Bound
Donor-Acceptor Complexes",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "347--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Munoz:1991:KDF,
author = "Luis A. Munoz and Yasuyuki Ishikawa and Brad R.
Weiner",
title = "Kinematic Distribution Function to Calculate
Rotational Populations of Photofragments from
Photodissociation of Triatomic Molecules",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "359--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Schmelcher:1991:MIS,
author = "P. Schmelcher and L. S. Cederbaum",
title = "On Molecules and Ions in Strong Magnetic Fields",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "371--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lavrik:1991:TRM,
author = "N. L. Lavrik and Yu. N. Molin",
title = "Time-Resolved Magnetic Field Effects in the
Recombination Products of Geminate Triplet Pairs for
Electron Phototransfer Reactions",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "387--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{March:1991:AII,
author = "N. H. March",
title = "Atoms and Ions in Intense Magnetic and Electric
Fields",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "401--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kulander:1991:SAE,
author = "Kenneth C. Kulander and Kenneth J. Schafer and Jeffrey
L. Krause",
title = "Single-Active Electron Calculation of Multiphoton
Process in Krypton",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "415--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Norman:1991:HSR,
author = "M. R. Norman",
title = "{Hund}'s Second Rule and the Electronic Structure of
Transition-Metal Oxides",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "431--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Huang:1991:VCA,
author = "Ming-Ju Huang and Max Wolfsberg",
title = "Variational Calculations on Ammonia Using Two
Symmetrical Normal Modes",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "441--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Leszczynski:1991:TES,
author = "Jerzy Leszczynski and Brian Hale and Danuta
Leszczynska",
title = "Theoretical and Experimental Study on Small Molecular
Ions. {I} Ab Initio Calculations on {CSe}, {CSesup} +,
and {HCSesup} + Species",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "451--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Seel:1991:CIS,
author = "Max Seel and Ravindra Pandey",
title = "Comparative Ab Initio Study of Electronic and Ionic
Properties of Lithium and Ionic Properties of Lithium
Nitride (Li$_3$ {N}), Lithium Phosphide (Li$_3$ {P}),
and Lithium Arsenide (Li$_3$ As)",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "461--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Nyulaszi:1991:PSH,
author = "L. Nyulaszi and T. Veszpremi and J. Reffy and G.
Zsombok and T. Cvitas and B. Kovac and L. Klasinc and
S. P. McGlynn",
title = "Photoelectron Spectra of Halogenofurans",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "479--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Reed:1991:CBH,
author = "Lynne H. Reed and Leland C. Allen",
title = "{1,5-C$_2$} {B}$_3$ {H}$_5$ and {C}$_5$ {H}$_8$, 1,5-
{C}$_2$ {B}$_3$ {H}$_3$ and {C}$_5$ {H}$_6$:
Carborane-Hydrocarbon Structural Analogs with Unusual
Three-Center Bonds",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "489--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Hennico:1991:PTS,
author = "G. Hennico and J. Delhalle and E. Younang and M.
Defranceschi and G. Lecayon and C. Boiziau",
title = "Preliminary Theoretical Study of Acrylonitrile and Its
Methyl Derivatives as Monomers for Cathodic
Electropolymerization",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "507--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Castleman:1991:SES,
author = "A. W. Castleman",
title = "Solvation Effects on the Structure and Reactivity of
Clusters",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "527--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kotzian:1991:ICT,
author = "M. Kotzian and N. Rosch and M. C. Zerner",
title = "An {INDO\slash} {S-CI} Treatment Including Spin-Orbit
Interaction Based on {Rumer} Spin Functions.
Application to the Hydrated Cerium Ion",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "545--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Bendale:1991:CES,
author = "Rajiv D. Bendale and John David Baker and Michael C.
Zerner",
title = "Calculations on the Electronic Structure and
Spectroscopy of {C}$_{60}$ and {C}$_{70}$ Cage
Structures",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "557--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Paikeday:1991:EAI,
author = "Joseph M. Paikeday",
title = "Electron-Atom Interaction Potential by {DCS}
Minimization",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "569--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Castillo:1991:TSP,
author = "S. Castillo and E. Poulain and O. Novaro",
title = "A Theoretical Study of the Photochemistry of
Methylcopper Hydride: {II}. Formation and Stability of
the {HCuCHsub} 3 Intermediate Complex",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "577--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Aray:1991:CDE,
author = "Yosslen Aray and Humberto Soscun and Juan Murgich",
title = "The Charge Distribution and the Electric Field
Gradient at the Nuclei of Two-Coordinated {N} Atoms",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "587--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{McHale:1991:IVR,
author = "Jeanne L. McHale",
title = "Intermolecular Vibrational Resonance Coupling:
Intensity Borrowing in Polarized {Raman} Spectroscopy",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "593--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat Aug 17 16:24:34 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Fripiat:1991:ICS,
author = "J. G. Fripiat and J.-M. Andr{\'e} and J. Delhalle
and J. L. Calais",
title = "An Ab Initio Computational Scheme for Polymeric Chains
with Fully Converged {Coulomb} and Exchange Lattice
Sums",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "603--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Roszak:1991:IHC,
author = "S. Roszak and Joyce J. Kaufman",
title = "The Ab-Initio Hybrid Crystal Orbital\slash Molecular
Cluster Approach to Study the Electronic Structure of
Molecular Crystals and Reactions in the Solid
Environment",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "619--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Boettger:1991:TPL,
author = "J. C. Boettger",
title = "Theoretical Properties of a $3$-Layer Film of
{LiBeH$_3$}",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "629--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Mowrey:1991:DAA,
author = "R. C. Mowrey and B. I. Dunlap",
title = "Dissociative Adsorption and Associative Desorption of
{H$_2$} on a Flat Surface",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "641--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Morales:1991:TSA,
author = "J. Morales and M. Bonilla-Marin and A. Langagne",
title = "Theoretical Study on {Al} Multiple Substitutions in
the {MFI} Zeolite",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "659--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Szalewicz:1991:NCT,
author = "Krzysztof Szalewicz and Bogumi{\l} Jeziorski",
title = "Nonadiabatic Calculations for $t d \mu$ Relevant for
Muon Catalyzed Fusion",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "671--686",
year = "1991",
CODEN = "IJQSDI",
DOI = "https://doi.org/10.1002/qua.560400859",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Derycke:1991:CST,
author = "I. Derycke and J. P. Vigneron and Ph. Lambin and Th.
Laloyaux and A. A. Lucas",
title = "Computation of Scanning Tunneling Microscope Images",
journal = j-IJQC-QC-SYMP,
volume = "25",
pages = "687--??",
year = "1991",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Michels:1992:MSH,
author = "H. H. Michels",
title = "Memorial Session in Honor of {Arnold Karo}",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "xxvii",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ohrn:1992:Ib,
author = "N. Y. {\"O}hrn and J. R. Sabin and M. C. Zerner",
title = "Introduction",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "ix",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ortiz:1992:TEE,
author = "J. V. Ortiz",
title = "Total Energies and Energy Gradients in Electron
Propagator Theory",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "1--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Pickup:1992:PEP,
author = "B. T. Pickup",
title = "The Perturbed Electron Propagator Approach to
Molecular Response Properties",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "13--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Deleuze:1992:SOG,
author = "M. Deleuze and P. Horeczky and J. Delhalle and B. T.
Pickup",
title = "Second-Order {Green}'s Function Simulations of the
Valence {XPS} Spectra of Unsaturated Hydrocarbons",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "31--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Nooijen:1992:CCA,
author = "M. Nooijen and J. G. Snijders",
title = "Coupled Cluster Approach to the Single-Particle
{Green}'s Function",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "55--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Szalay:1992:AAC,
author = "P. G. Szalay and R. J. Bartlett",
title = "Alternative {Ansatze} in Coupled-Cluster Theory. {IV}.
Comparison for the Two Electron Problem and the Role of
Exclusion Principle Violating {(EPV)} Terms",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "85--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kucharski:1992:CCM,
author = "S. A. Kucharski and R. J. Bartlett",
title = "Coupled-Cluster Method for an Incomplete Model Space",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "107--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Fernandez:1992:MMP,
author = "F. M. Fernandez",
title = "Moment-Method Perturbation Theory for the Hydrogen
Atom in Parallel Electric and Magnetic Fields and in
Inhomogeneous Electric Fields",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "117--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ishikawa:1992:RMB,
author = "Y. Ishikawa",
title = "Relativistic Many-Body Perturbation Theory Using the
Discrete Basis Expansion Method: Analysis of
Relativistic Pair Correlation Energies of the {Xe}
Atom",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "127--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Sinanoglu:1992:NME,
author = "O. Sinanoglu",
title = "Nonorthogonality and the {MO} Energy Level Patterns of
Molecules Deduced Directly from Structural Formulas by
the New {VIF} Method as Compared with Machine
Computations",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "137--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Recamier:1992:ELQ,
author = "A. J. R{\'e}camier and R. R. Jauregui",
title = "Energy Levels for a Quartic Oscillator Using Algebraic
Techniques",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "153--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Pauncz:1992:SPO,
author = "R. Pauncz",
title = "Studies in the Paired Orbital Method. {IV}. Orthogonal
Transformations in the Virtual Space",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "161--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Morales:1992:AAF,
author = "J. Morales and G. Arreaga and J. J. Pena and J.
Lopez-Bonilla",
title = "Alternative Approach to the Factorization Method",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "171--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Larson:1992:SCE,
author = "E. G. Larson and M. Li and G. C. Larson",
title = "Some Comments on The Electrostatic Potential of a
Molecule",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "181--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Garcia-Sucre:1992:CRV,
author = "M. Garcia-Sucre",
title = "Complex Regional Virial Relations in Molecules",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "207--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Alexander:1992:CAM,
author = "S. A. Alexander and R. L. Coldwell and G. Aissing and
A. J. Thakkar",
title = "Calculating Atomic and Molecular Properties Using
Variational {Monte Carlo} Methods",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "213--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Head:1992:LWE,
author = "J. D. Head and S. J. Silva",
title = "Localization of Wavefunctions From Extended Systems
Using Orbital Occupation Numbers",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "229--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Schlegel:1992:CGO,
author = "H. B. Schlegel",
title = "A Comparison of Geometry Optimization with Internal,
Cartesian, and Mixed Coordinates",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "243--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Nalewajski:1992:CPE,
author = "R. F. Nalewajski",
title = "Chemical Potential (Electronegativity)-Related
Quantities in a Model Multilevel System",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "253--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Jones:1992:RBF,
author = "H. W. Jones and B. Etemadi and F. B. Brown",
title = "Restricted Basis Functions for {H$_2^+$} with Use of
Overlap Integrals of {Slater}-Type Orbitals",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "265--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Urban:1992:BSQ,
author = "M. Urban and R. J. Bartlett and S. A. Alexander",
title = "Basis Set Quantum Chemistry and Quantum {Monte Carlo}:
Selected Atomic and Molecular Results",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "271--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Thakkar:1992:AAM,
author = "A. J. Thakkar and T. Koga",
title = "Analytic Approximations to the Momentum Moments of
Neutral Atoms",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "291--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Hagmann:1992:QTT,
author = "M. J. Hagmann",
title = "Quantum Tunneling Times: {A} New Solution Compared to
12 Other Methods",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "299--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Vianna:1992:RHF,
author = "R. O. Vianna and R. Custodio and H. Chacham and J. R.
Mohallem",
title = "Reliable {Hellmann--Feynman} Forces for
Nuclei-Centered {GTO} Basis of Standard Size",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "311--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Gill:1992:IPH,
author = "P. M. W. Gill and B. G. Johnson and J. A. Pople and M.
J. Frisch",
title = "An Investigation of the Performance of a Hybrid of
{Hartree--Fock} and Density Functional Theory",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "319--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Slamet:1992:GEA,
author = "M. Slamet and V. Sahni",
title = "The Gradient Expansion Approximation for Exchange: {A}
Physical Perspective",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "333--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Glossman:1992:NEK,
author = "M. D. Glossman and A. Rubio and L. C. Balbas and J. A.
Alonso",
title = "Nonlocal Exchange and Kinetic-Energy Density
Functionals for Electronic Systems",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "347--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Rasolt:1992:CDF,
author = "M. Rasolt and G. Vignale and F. Perrot",
title = "Current Density Functional Theory in a Continuum and
Lattice Lagrangians: Application to Spontaneously
Broken Chiral Ground States",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "359--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Csavinszky:1992:PNI,
author = "P. Csavinszky",
title = "Precision in the Numerical Integration of the
{Thomas--Fermi--Dirac} Kinetic-Energy and
Exchange-Energy Functionals Using a Modeled Electron
Density",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "371--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{March:1992:EDT,
author = "N. H. March",
title = "Electron Density Theory in Extreme Homogeneous and
Heterogeneous Environments and in Intense External
Fields",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "377--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Broclawik:1992:QES,
author = "E. Broclawik and D. R. Salahub",
title = "Quintet Electronic States of {MoO}: {Gaussian} Density
Functional Calculations",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "393--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Horvat:1992:ITI,
author = "D. Horvat and A. Graovac and D. Plav{\v{s}}i{\'c} and
N. Trinajsti{\'c} and M. Strunje",
title = "On the Intercorrelation of Topological Indices in
Benzenoid Hydrocarbons",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "401--408",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Sadlej:1992:CIG,
author = "J. Sadlej and W. D. Edwards",
title = "Correlated Ab Initio Geometry and Vibrational Spectra
of Imidazole and its Different Forms",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "409--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kwiatkowski:1992:IPH,
author = "J. S. Kwiatkowski and J. Leszczynski",
title = "Ab Initio Post-{Hartree--Fock} Studies on Molecular
Structure and Vibrational {IR} Spectrum of
Formaldehyde",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "421--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Huang:1992:VCW,
author = "M.-J. Huang",
title = "Vibrational Calculations on Water With Improved Force
Fields",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "427--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Broeckhove:1992:MAA,
author = "J. Broeckhove and B. Feyen and P. {Van Leuven}",
title = "Multiphoton Absorption in Anharmonic Systems",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "435--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Pasinszki:1992:PSM,
author = "T. Pasinszki and T. Veszpremi and M. Feher and B.
Kovac and L. Klasinc and S. P. McGlynn",
title = "The Photoelectron Spectra of Methyl Pseudohalides",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "443--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lavin:1992:SDS,
author = "C. Lavin and I. Martin and M. J. Vallejo",
title = "Study of the Diffuse Spectral Series of Boron-Like
Atomic Systems",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "455--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Martin:1992:FSO,
author = "I. Martin and C. Lavin and C. Barrientos",
title = "Fine-Structure Oscillator Strengths for Excited-State
Transitions in {Cu-Like} Ions",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "465--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Yu:1992:COS,
author = "J. Yu and J. D. Baker and M. C. Zerner",
title = "On the Calculation of Oscillator Strength for
Electronic Transitions using ``Effective Core''
Methods",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "475--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Parkinson:1992:CDP,
author = "W. A. Parkinson",
title = "A Comparison of Dipole Polarizability Obtained From
Linear and Quadratic Response Functions",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "487--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Seminario:1992:GDF,
author = "J. M. Seminario and P. Politzer",
title = "{Gaussian-2} and Density Functional Studies of {${\rm
H}_2 {\rm N}$} --- {${\rm NO}_2$} Dissociation,
Inversion, and Isomerization",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "497--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Thu Jan 04 13:04:50 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Flock:1992:ISI,
author = "M. Flock and M. Ramek",
title = "Ab-Initio {SCF} Investigation of Glycolic Acid",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "505--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Hirao:1992:MMP,
author = "K. Hirao",
title = "Multireference {M{\o}ller--Plesset} Perturbation
Treatment of Potential Energy Curve of {N}$_2$",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "517--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{DelBene:1992:HBM,
author = "J. E. {Del Bene}",
title = "Hydrogen Bonding: Methodology and Applications to
Complexes of {HF} and {HCl} with {HCN} and {CHsub} 3
{CN}",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "527--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Boudreaux:1992:SMC,
author = "E. A. Boudreaux and E. Baxter and K. Chin",
title = "{SC-MEH-Cl} Calculations on the {(NH$_4$)$_4$CuCl$_6$
(D$_{2h}$)} Cluster in ({NH$_4{}_2$ CuCl$_4$})",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "543--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Fox:1992:ESB,
author = "T. Fox and M. Kotzian and N. Rosch",
title = "On the Electronic Structure of Barrelene-Based Rigid
Organic Donor-Acceptor Systems. An {INDO} Model Study
Including Solvent Effects",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "551--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Maloteau:1992:ACE,
author = "M. Maloteau and D. H. Mosley and J.-M. Andr{\'e} and
J. Delhalle and B. T. Pickup",
title = "Attempts to Calculate the Electron Affinity of
Acrylonitrile",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "563--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lunell:1992:ISE,
author = "S. Lunell and L. A. Eriksson",
title = "Isotope Substitution Effects on Preferred
Conformations of Some Hydrocarbon Radical Cations",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "575--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Estiu:1992:SCB,
author = "G. L. Estiu and M. C. Zerner",
title = "Studies on {CO} Bonding to {Rh} Clusters Using an
Intermediate Neglect of Differential Overlap Theory to
Model Heterogeneous Catalytic Reactions",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "587--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ackermann:1992:EMP,
author = "L. Ackermann and N. Rosch and B. I. Dunlap and G.
Pacchioni",
title = "Electronic and Magnetic Properties of Organometallic
Clusters: From the Molecular to the Metallic State",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "605--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Mola:1992:OOA,
author = "E. E. Mola and J. L. Vicente and L. Blum",
title = "Orientational Ordering of Adsorbed Monolayers",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "621--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Boettger:1992:CTD,
author = "J. C. Boettger",
title = "Calculations of Thickness Dependencies in the
Properties of Ultra-Thin Films",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "633--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Batra:1992:ATF,
author = "I. P. Batra",
title = "Application of Thin Films Method in the Study of
Alkali-Semiconductor Interaction",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "643--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Engdahl:1992:ESC,
author = "E. Engdahl",
title = "Extreme Sensitivity of Corrugation Strength on
Diffraction Resonance Line-Shapes for the Gas-Surface
System {He(21 meV)\slash Cu(115)}",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "657--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Fazzio:1992:ESP,
author = "A. Fazzio and C. R. Martins da Cunha and S. Canuto",
title = "Electronic and Structural Properties of {N} and
{N}$_2$ in Type-{IV} Semiconductors",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "667--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lewandowski:1992:ISC,
author = "A. C. Lewandowski and T. M. Wilson",
title = "Ab Initio {SCF} Calculations on {Mn}-Related Defects
in {CaFsub} 2",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "673--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Marshall:1992:IFL,
author = "T. S. Marshall and T. M. Wilson",
title = "Ab Initio Factorized {LCAO} Calculations of the
Electronic Band Structure of {ZnSe}, {ZnS}, and the
{(ZnSe)$_1$ (ZnS)$_1$} Strained-Layer Superlattice",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "687--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Wilson:1992:IFL,
author = "T. M. Wilson and E. E. Lafon",
title = "Ab Initio Factorized {LCAO} Calculation of the
Electronic Structure of {alpha-SiOsub} 2",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "703--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Linderberg:1992:FEP,
author = "J. Linderberg",
title = "Finite Elements and Partial Waves in Scattering
Calculations",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "717--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Nakatsuji:1992:TMS,
author = "H. Nakatsuji",
title = "Theoretical Model Studies for Surface-Molecule
Interacting Systems",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "725--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Parlant:1992:ASA,
author = "G. Parlant and D. R. Yarkony",
title = "An Adiabatic State Approach to Electronically
Nonadiabatic Wave Packet Dynamics",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "737--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Mendizabal:1992:IEF,
author = "F. Mendizabal and R. R. Contreras and A. J. Aizman",
title = "Introduction of External Field Effects in the Frontier
Molecular Orbital Theory of Chemical Reactivity",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "751--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Moyano:1992:FSA,
author = "G. E. Moyano and J. L. Villaveces",
title = "A Fibered Space Approach to Chemical Reaction
Mechanisms",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "761--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Mayer:1992:AII,
author = "I. Mayer",
title = "On the Additivity and Interference of Interactions",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "773--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Martinez-Magadan:1992:TSI,
author = "J. M. Martinez-Magadan and A. Ramirez-Solis and O.
Novaro",
title = "Theoretical Study of the Interaction of {Ga},
{Ga$^+$}, and {Ga$^{2+}$} with the Hydrogen Molecule",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "781--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Cundari:1992:AEZ,
author = "T. R. Cundari",
title = "The Activation and Elimination of {$H_2$} by {Zr}
Complexes",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "793--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 17:59:31 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Esquivel:1992:SET,
author = "J. L. Esquivel and D. Balmaceda and J. F.
Mata-Segreda",
title = "Solvation Effect on the Tunneling Rates of Proton
Transfer",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "807--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Luth:1992:CBP,
author = "K. Luth and S. Scheiner",
title = "Calculation of Barriers to Proton Transfer Using a
Variety of Electron Correlation Methods",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "817--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Eguiluz:1992:TFP,
author = "A. G. Eguiluz and J. J. Deisz and M. Heinrichsmeier
and A. Fleszar and W. Hanke",
title = "Towards a First-Principles Implementation of
Density-Functional Theory at a Metal Surface",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "837--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Bodor:1992:NNS,
author = "N. Bodor and M.-J. Huang and A. Harget",
title = "Neural Network Studies. 4. An Extended Study of the
Aqueous Solubility of Organic Compounds",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "853--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Wang:1992:SHP,
author = "Z. Wang and Y. Yan and H. Zhan and J. C. Morrison and
P. Winkler",
title = "On the Stability of {H$^-$} in Plasmas",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "869--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Stanton:1992:AIP,
author = "J. F. Stanton and J. Gauss and J. D. Watts and W. J.
Lauderdale and R. J. Bartlett",
title = "The {ACES II} Program System",
journal = j-IJQC-QC-SYMP,
volume = "26",
pages = "879--??",
year = "1992",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Anonymous:1993:LP,
author = "Anonymous",
title = "List of Participants",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "xi",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ohrn:1993:Ib,
author = "N. Y. {\"O}hrn and J. R. Sabin and M. C. Zerner",
title = "Introduction",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "ix",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Roothaan:1993:MLP,
author = "C. C. J. Roothaan",
title = "My Life as a Physicist: Memories and Perspectives",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "1--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Roothaan:1993:NAC,
author = "C. C. J. Roothaan",
title = "New Algorithms for Calculating 3n-j Symbols",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "13--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ransil:1993:DMP,
author = "B. J. Ransil",
title = "The Diatomic Molecule Project at {LMSS} {1956-1966}:
Broken Bottlenecks",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "25--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Cann:1993:SEC,
author = "N. M. Cann and R. J. Boyd and A. J. Thakkar",
title = "Statistical Electron Correlation Coefficients for 29
States of the Heliumlike Ions",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "33--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kapuy:1993:ICE,
author = "E. Kapuy and F. Bogar and C. Kozmutza and E. Tfirst",
title = "Investigation of the Correlation Energy Component of
the Intermolecular Interaction Energy",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "43--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Watts:1993:TEC,
author = "J. D. Watts and R. J. Bartlett",
title = "Triple Excitations in Coupled-Cluster Theory: Energies
and Analytical Derivatives",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "51--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Meissner:1993:EPT,
author = "L. Meissner and R. J. Bartlett",
title = "Electron Propagator Theory with the Ground State
Correlated by the Coupled-Cluster Method",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "67--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Aissing:1993:RES,
author = "G. Aissing and H. J. Monkhorst",
title = "On the Removal of the Exchange Singularity in Extended
Systems",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "81--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Fritsche:1993:MMA,
author = "L. Fritsche and H. Monkhorst and S. Trickey",
title = "In Memoriam: {Michael Andreas Schluter}, 1945--1992",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "91--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Perdew:1993:LDG,
author = "J. P. Perdew",
title = "Local Density and Gradient-Corrected Functionals for
Short-Range Correlation: Antiparallel-Spin and
{Non-RPA} Contributions",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "93--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Harbola:1993:ASK,
author = "M. K. Harbola and V. Sahni",
title = "Asymptotic Structure of the {Kohn--Sham} Effective
Potential at Metal Surfaces",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "101--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ladik:1993:CCB,
author = "J. Ladik and P. Otto",
title = "Correlation Corrected Band Structures of Quasi {1D}
and {2D} Periodic Systems and Level Distributions of
Disordered Chains; New Method with Correlation for
Dynamic Nonlinear Optical Properties of Periodic
Polymers",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "111--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Suhai:1993:TOM,
author = "S. Suhai",
title = "Third-Order {M{\o}ller--Plesset} Perturbation Theory
of Electron Correlation in Infinite Systems: {A}
Comparison of Carbon- and Silicon-Based Polymers",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "131--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Boettger:1993:SPL,
author = "J. C. Boettger",
title = "Spin-Polarized {LCGTO-FF} Band Structure Technique:
Application to 3d Transition Metal Monolayers",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "147--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Teter:1993:DFT,
author = "M. P. Teter",
title = "Density-Functional Theory in Glass Chemistry",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "155--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Boehm:1993:IIV,
author = "R. C. Boehm and A. Banerjee",
title = "Ab Initio Investigation of Void Stabilization: Oxygen
in Nickel",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "163--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Andres:1993:VDS,
author = "J. Andres and A. Beltran and J. Carda and G. Monros",
title = "{V$^{4+}$} Doping into {SiO$_2$}, {ZrO$_2$} and
{ZrSiO$_4$} Structures. An Ab Initio Perturbed Ion
Study",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "175--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Mei:1993:TUE,
author = "C. Mei and V. H. Smith",
title = "Towards an Understanding of the Electronic Structure
of {Mott}-Insulating Transition Metal Oxides",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "187--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Estiu:1993:EGC,
author = "G. L. Estiu and M. C. Zerner",
title = "Electronic and Geometric Characteristics of
Precrystalline Structures in Highly Dispersed {Rh}
Catalysts",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "195--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat Aug 17 16:24:39 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Scolfaro:1993:ESI,
author = "L. M. R. Scolfaro and R. Pintanel and A. Fazzio and J.
R. Leite",
title = "Electronic States Induced by a {Ga} Vacancy in the
$\mbox{GaAs}_{1-x} \mbox{P}_x$ Alloy",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "213--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat Aug 17 16:23:10 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Wu:1993:ESP,
author = "J. Z. Wu and S. B. Trickey and J. R. Sabin",
title = "Electronic Stopping Power for Protons in an {LiF}
Monolayer",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "219--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Springborg:1993:SDF,
author = "M. Springborg",
title = "Some Density-Functional {LMTO} Studies of Electronic
Properties of Quasi-One-Dimensional Systems",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "227--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Aissing:1993:RIS,
author = "G. Aissing and H. J. Monkhorst and C. Hu",
title = "Rules for Intrinsically (Super) Conducting Polymers",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "245--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Brajczewska:1993:ESC,
author = "M. Brajczewska and C. Fiolhais and J. P. Perdew",
title = "Energetics of Small Clusters of Stabilized Jellium:
Continuum and Shell-Structure Effects",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "249--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Seminario:1993:DFI,
author = "J. M. Seminario and M. C. Concha and P. Politzer",
title = "Density-Functional and Ab Initio Computational Studies
of Palladium Clusters",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "263--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Li:1993:MSA,
author = "X. Li and J. Paldus",
title = "Multiconfigurational Spin-Adapted Single-Reference
Coupled Cluster Formalism",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "269--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Bendazzoli:1993:CAF,
author = "G. L. Bendazzoli and S. Evangelisti",
title = "Computation and Analysis of the Full Configuration
Interaction Wave Function of Some Simple Systems",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "287--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Wen:1993:NCS,
author = "Z. Wen",
title = "A Note on the Calculation of Some Transformation
Coefficients",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "303--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Cioslowski:1993:RIE,
author = "J. Cioslowski",
title = "Rigorous Interpretation of Electronic Wavefunctions.
{IV} Origins of the Unusual Stability of the
1,3-Dimethylimidazol-2-Ylidene Carbene",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "309--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Talman:1993:MSC,
author = "J. D. Talman",
title = "Molecular {SCF} Calculations Using a Basis of
Numerical Orbitals",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "321--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Flock:1993:BSD,
author = "M. Flock and M. Ramek",
title = "Basis Set Dependence of Ab-Initio Calculated Vibration
Frequencies",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "331--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Thakkar:1993:DQZ,
author = "A. J. Thakkar and T. Koga and M. Saito and R. E.
Hoffmeyer",
title = "Double and Quadruple Zeta Contracted {Gaussian} Basis
Sets for Hydrogen through Neon",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "343--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Zhou:1993:KEC,
author = "Z. Zhou",
title = "Kinetic Energy Component in the Divide-and-Conquer
Method",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "355--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Brown:1993:SME,
author = "R. G. Brown and M. Ciftan",
title = "Statistical Microdynamics of Extended Systems in
Natural Function Spaces",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "363--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Csavinszky:1993:DIA,
author = "P. Csavinszky",
title = "Determinantal Inequalities among $<r^n>$",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "377--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lavin:1993:RQD,
author = "C. Lavin and P. Martin and I. Martin and J.
Karwowski",
title = "Relativistic Quantum Defect Orbital Calculations of
Singlet-Singlet Transitions in the Zinc and Cadmium
Isoelectronic Sequences",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "385--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Komninos:1993:PTE,
author = "Y. Komninos and S. Themelis and M. Chrysos and C. A.
Nicolaides",
title = "Properties of the Two-Electron Ionization Ladder and
Related Good Quantum Numbers",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "399--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ortiz:1993:CGS,
author = "J. V. Ortiz",
title = "A Comparison of Ground-State Averages in Electron
Propagator Theory",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "407--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Luth:1993:CGT,
author = "K. Luth and S. Scheiner",
title = "Comparison of Ground and Triplet State Geometries of
Malonaldehyde",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "419--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Zheng:1993:EMM,
author = "X. Zheng and M. C. Zerner",
title = "Electric Multipole Moment Integrals Evaluated over
{Slater}-Type Orbitals",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "431--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{deVries:1993:SPD,
author = "A. H. {de Vries} and P. Th. {Van Duijnen} and A. H.
Juffer",
title = "Success and Pitfalls of the Dielectric Continuum Model
in Quantum Chemical Calculations",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "451--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Sorensen:1993:QFT,
author = "T. E. Sorensen and W. B. England and D. M. Silver",
title = "Quantum Field Theoretical Methods in Chemically Bonded
Systems. {V}. Potential Energy Curves for {N}$_2$ (Xsup
1 Sigmasub gsup +)arrr {2N(sup 4 S sup *)}",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "467--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kelterer:1993:ISI,
author = "A.-M. Kelterer and M. Ramek",
title = "Ab Initio {SCF} Investigation of the Potential Energy
Surface of 4-Aminobutanol",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "479--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Gao:1993:SEP,
author = "J. Gao",
title = "Solvent Effect on the Potential Surface of the Proton
Transfer in [{H}$_3$ {N}--{H}--{NH}$_3$]$^+$",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "491--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Thu Apr 05 08:52:02 2001",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Yamaguchi:1993:ICB,
author = "K. Yamaguchi and M. Okumura and K. Takada and S.
Yamanaka",
title = "Instability in Chemical Bonds. {II}. Theoretical
Studies of Exchange-Coupled Open-Shell Systems",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "501--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Broeckhove:1993:QWD,
author = "J. Broeckhove and B. Feyen and P. {Van Leuven} and R.
Cimiraglia and M. Persico",
title = "Quantum Wavepacket Dynamics for the {$^1\Sigma^+$}
States of Boron Hydride",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "517--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Cohen:1993:IET,
author = "J. M. Cohen and G. R. Famini",
title = "An Improved Eikonal Treatment of Rotationally
Inelastic {He}--{H$_2$} Scattering",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "527--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Arteca:1993:AMS,
author = "G. A. Arteca",
title = "Assessment of Molecular Shape Fluctuations Along
Dynamic Trajectories",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "547--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Chang:1993:QFS,
author = "J. Chang and N. J. Brown",
title = "Quantum Functional Sensitivity Analysis for the {3-D}
({J} = {O}) {H} + {H}$_2$ Reaction",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "567--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Castillo:1993:TSR,
author = "S. Castillo and A. Ramirez-Solis and E. Poulain",
title = "Theoretical Study of the Reaction of {Cd} ($^1${S},
$^3${P}, $^1${P}) with the Methane Molecule",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "587--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Mayer:1993:UEP,
author = "I. Mayer and A. Gomory",
title = "Use of Energy Partitioning for Predicting Primary Mass
Spectrometric Fragmentation Steps: {A} Preliminary
Account",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "599--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{March:1993:LPI,
author = "N. H. March",
title = "Light Particles Interacting with Organic Molecules",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "607--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Mielke:1993:PWF,
author = "S. L. Mielke and G. J. Tawa and D. G. Truhlar and D.
W. Schwenke",
title = "Partial Widths of {Feshbach} Funnel Resonances in the
Na(3p)b$\cdot$ {H}$_2$ Exciplex",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "621--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Burk:1993:CTP,
author = "P. Burk and K. Herodes and I. Koppel and I. Koppel",
title = "Critical Test of {PM3-Calculated} Proton Affinities",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "633--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Martins:1993:ZCM,
author = "J. B. L. Martins and E. Longo and J. Andr{\'e}s",
title = "{ZnO} Clusters Models: An {AM1} and {MNDO} Study",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "643--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Larsson:1993:CPI,
author = "S. Larsson and L. Rodriguez-Monge",
title = "Correlation and Pairing in {$C_{60}{2n}$}-Ions
Superconductivity of Alkali and Alkaline Earth
Compounds of {$C_{60}$}",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "655--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Champagne:1993:ICU,
author = "B. Champagne and D. H. Mosley and J.-M. Andr{\'e}",
title = "Ab Initio Coupled and Uncoupled {Hartree--Fock}
Calculations of the Polarizabilities of Finite and
Infinite Polyacetylene Chains",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "667--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Mujica:1993:GFC,
author = "V. Mujica and G. Doyen",
title = "A {Green}'s Function Calculation of the Zero-Voltage
{STM} Resistance of a One-Dimensional Chain Coupled to
Two Jellium Surfaces",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "687--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Garcia-Sucre:1993:ICE,
author = "M. Garcia-Sucre and J. L. Paz and E. Squitieri and V.
Mujica",
title = "Intramolecular Coupling Effect in the Refractive Index
for a Simple Three-Level Model of Molecules Diluted in
Water",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "699--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Saragoni:1993:TSC,
author = "V. G. Saragoni and R. R. Contreras and A. J. Aizman",
title = "Theoretical Study of the {C}- vs. {O}-Acylation of
Metal Enolates Frontier Molecular Orbital Analysis
Including Solvent Effects",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "713--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Martin:1993:QDO,
author = "I. Martin and J. Karwowski and G. H. F. Diercksen and
C. Lavin",
title = "Quantum Defect Orbital Study of Electron Transitions
in {Rydberg} Molecules. {I}. Triatomic Hydrogen",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "723--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Sadlej:1993:ISG,
author = "J. Sadlej and W. D. Edwards",
title = "Ab Initio Study of the Ground and Excited States of
{LiNe}",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "731--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kaplan:1993:TSG,
author = "I. G. Kaplan and R. Santamaria and O. Novaro",
title = "Theoretical Study of the Geometric Structures and
Energetic Properties of Anionic Clusters. Ag$_n^-$ $(n
= 2 {\rm to} 6)$",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "743--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Etemadi:1993:ALG,
author = "B. Etemadi and H. W. Jones",
title = "Accurate {LCAO} Ground State Calculations of
{HeH$^{2+}$} Using {Slater}-Type Orbitals",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "755--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Richman:1993:LLS,
author = "K. W. Richman and A. Banerjee",
title = "Low-Lying States of {$SF_6$} and {$SF_6^-$}: Electron
Affinity of {$SF_6$} and Electron Detachment of
{$SF_6^-$}",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "759--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kendall:1993:HPC,
author = "R. A. Kendall",
title = "High Performance Computing in Chemistry and Massively
Parallel Computers: {A} Simple Transition?",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "769--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kalia:1993:ASP,
author = "R. K. Kalia and W. Jin and S. W. de Leeuw and A.
Nakano and P. Vashishta",
title = "Atomistic Simulations on Parallel Architectures",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "781--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Mosley:1993:ECE,
author = "D. H. Mosley and J. G. Fripiat and B. Champagne and
J.-M Andr{\'e}",
title = "Efficient Computation of Electron-Repulsion Integrals
in Ab Initio Studies of Polymeric Systems",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "793--??",
year = "1993",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Hagmann:1993:EPD,
author = "M. J. Hagmann and L. Zhao",
title = "Experiments Pursuant to Determining the Barrier
Traversal Time for Quantum Tunneling",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "807--??",
year = "1993",
CODEN = "IJQSDI",
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}
@Article{Loew:1993:TSO,
author = "G. H. Loew and Y.-T. Chang",
title = "Theoretical Studies of the Oxidation of {N}- and
{S}-Containing Compounds by Cytochrome {P450}",
journal = j-IJQC-QC-SYMP,
volume = "27",
pages = "815--??",
year = "1993",
CODEN = "IJQSDI",
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}
@Article{Trickey:1995:MJC,
author = "S. B. Trickey",
title = "In Memoriam: {Joseph Callaway}, 1931--1994",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "29--??",
year = "1995",
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bibdate = "Wed Jan 3 14:24:13 MST 1996",
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}
@Article{Solomatin:1995:EPM,
author = "A. Solomatin and V. Sahni",
title = "Exchange Potentials at a Metal Surface",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "31--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Whitten:1995:TSS,
author = "J. L. Whitten and H. Yang",
title = "Theoretical Studies of Surface Reactions on Metals",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "41--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
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}
@Article{Alonso:1995:ECD,
author = "J. A. Alonso and N. A. Cordero",
title = "Exchange and Correlation in Density Functional
Theory",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "49--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Proynov:1995:DED,
author = "E. I. Proynov and E. Ruiz and A. Vela and D. R.
Salahub",
title = "Determining and Extending the Domain of Exchange and
Correlation Functionals",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "61--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Krieger:1995:KST,
author = "J. B. Krieger and J. Chen and Y. Li and G. J.
Iafrate",
title = "{Kohn--Sham} Theory for Orbital Dependent
Exchange-Correlation Energy Functionals: Application to
the Calculation of Ionization Potentials and Electron
Affinities",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "79--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Gorling:1995:DIF,
author = "A. Gorling and M. Levy",
title = "{DFT} Ionization Formulas and a {DFT} Perturbation
Theory for Exchange and Correlation, Through Adiabatic
Connection",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "93--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Ho:1995:IDS,
author = "M. Ho and R. P. Sagar and D. F. Weaver and V. H.
{Smith, Jr.}",
title = "An Investigation of the Dependence of {Shannon}
Information Entropies and Distances Measures on
Molecular Geometry",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "109--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
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}
@Article{Mosley:1995:DFS,
author = "D. H. Mosley and B. Champagne and J.-M. Andr{\'e}",
title = "Density Functional Study of the Static Longitudinal
Polarizability of Model Polymeric Chains",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "117--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Krakauer:1995:ILR,
author = "H. Krakauer and R. Yu and C.-Z. Wang",
title = "Ab Initio Linear Response Calculations of Lattice
Dynamics Using an {LAPW} Basis",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "131--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{March:1995:DFT,
author = "N. H. March",
title = "Density Functional Theory via Density Matrices",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "137--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Alexander:1995:SDF,
author = "S. A. Alexander",
title = "State Decay in Finite and Infinite Discrete Systems",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "145--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Apell:1995:PCP,
author = "S. P. Apell and J. R. Sabin and S. B. Trickey",
title = "Prediction of Crystalline Properties from Ultrathin
Layered Systems: Energy Deposition",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "153--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Nikitina:1995:CII,
author = "E. A. Nikitina and T. A. Golubina and A. I. Malkin and
V. S. Yushchenko and V. D. Khavryuthcenko and E. F.
Sheka",
title = "Computational Investigation of the Influence of the
Environment on Mechanical Properties of Solids",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "161--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Animalu:1995:NIR,
author = "A. O. E. Animalu and R. M. Santilli",
title = "Nonlocal Isotopic Representation of the {Cooper} Pair
in Superconductivity",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "175--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Jin:1995:CSE,
author = "Q. Jin and C. Mei and V. H. {Smith, Jr.}",
title = "Comparison Study of the Electronic Structure of
High-{$T_c$} Superconductors",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "189--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Boettger:1995:ESC,
author = "J. C. Boettger",
title = "Equation of State Calculations Using the {LCGTO-FF}
Method: Equilibrium Properties of hcp Beryllium",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "197--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Fazzio:1995:ESP,
author = "A. Fazzio and T. M. Schmidt",
title = "Electronic Structure of Periodically {Si-d}-Doped
{GaAs}",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "203--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Castillo:1995:TSI,
author = "S. Castillo and E. Poulain and V. Bertin and A. Cruz",
title = "Theoretical Studies of the Interaction of {PtSn}
Systems with {H$_2$}",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "207--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Mota:1995:MIT,
author = "R. Mota and J. C. Cechin and S. Canuto and A. Fazzio",
title = "Metal-Insulator Transition in Fullerides: {${\rm
K}_3{\rm C}_{60}$} versus {${\rm Na}_3{\rm C}_{60}$}",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "217--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Pisani:1995:ECA,
author = "C. Pisani and U. Birkenheuer",
title = "Embedded-Cluster Approach to the Study of Catalytic
Reactions in Zeolite Cavities",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "221--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Harris:1995:CSP,
author = "F. E. Harris and A. G. Koures",
title = "Critical Study of Plane-Wave Density-Functional
Methods for Extended Systems",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "235--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{vanOosten:1995:HEL,
author = "A. B. {van Oosten} and R. Broer and W. C. Nieuwpoort",
title = "{Heisenberg} Exchange in {La$_2$CuO$_4$}",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "241--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Malrieu:1995:MCC,
author = "J.-P. Malrieu and B. Miguel and A. Pelegatti",
title = "Modified Coupled Cluster Amplitudes",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "245--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Berrondo:1995:SST,
author = "M. Berrondo and J. F. Rivas-Silva",
title = "{Stokes} Shifts in {Tl}-Doped Alkali Halides",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "253--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Broyles:1995:DRH,
author = "A. A. Broyles",
title = "The Derivation of the Relativistic {Hamiltonian} For
Molecules",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "257--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Koures:1995:LCH,
author = "V. G. Koures and F. E. Harris",
title = "Light Cone {Hamiltonian} in Quantum Chemistry:
{Gaussian} Basis Representation for Quantum
Electrodynamics",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "277--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Bundgen:1995:CIS,
author = "P. Bundgen and G. H. Lushington and F. Grein",
title = "Configuration Interaction Study of Relativistic
Corrections to the {Zeeman} Effect in Diatomic
Molecules",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "283--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Hagmann:1995:ENM,
author = "M. J. Hagmann",
title = "Efficient Numerical Methods for Solving the
{Schr{\"o}dinger} Equation with a Potential Varying
Sinusoidally with Time",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "289--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Nagy:1995:EEE,
author = "A. Nagy",
title = "Exact Ensemble Exchange Potentials for Multiplets",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "297--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Czavinszky:1995:CDI,
author = "P. Czavinszky",
title = "Comparison of Determinantal Inequalities for Lower
Bounds to ($1/r$)",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "303--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kotochigova:1995:ESM,
author = "S. Kotochigova and I. Tupitsyn",
title = "Electronic Structure of Molecules by the Numerical
Generalized-Valence-Bond Wave Functions",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "307--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Olofson:1995:GQE,
author = "A. E. S. Olofson and R. H. Squire",
title = "Is ``$4n+2$'' a General Quantum Electromagnetic
Topological Invariant?",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "313--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Ortiz:1995:CIE,
author = "J. V. Ortiz",
title = "Contour Integrals in Electron Propagator Theory",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "331--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Morales:1995:IRF,
author = "J. Morales and V. Gaftoi and J. Lopez-Bonilla and J.
J. Pena",
title = "Improved Recursion Formulas for the Calculation of
Two-Center Central Potential Integrals",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "339--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Bleil:1995:CRL,
author = "R. Bleil and S. Kais",
title = "Charge Renormalization at the Large-${D}$ Limit for
Atoms and Molecules",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "349--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Maurice:1995:CIS,
author = "D. Maurice and M. Head-Gordon",
title = "Configuration Interaction with Single Substitutions
for Excited States of Open-Shell Molecules",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "361--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Massa:1995:QCU,
author = "L. Massa and L. Huang and J. Karle",
title = "Quantum Crystallography and the Use of Kernel
Projector Matrices",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "371--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{York:1995:GFE,
author = "D. M. York",
title = "A Generalized Formulation of Electronegativity
Equalization from Density-Functional Theory",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "385--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Shroll:1995:ESG,
author = "R. M. Shroll and W. D. Edwards",
title = "Excited-State Gradients via {CPHF} Equations",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "395--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Visscher:1995:KRC,
author = "L. Visscher and K. G. Dyall and T. J. Lee",
title = "{Kramers}-Restricted Closed-Shell {CCSD} Theory",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "411--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ishikawa:1995:AGC,
author = "N. Ishikawa and M. Head-Gordon",
title = "Analytical Gradient of the {CIS(D)} Perturbative
Correction to Single-Excitation Configuration
Interaction Excited States",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "421--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Champagne:1995:CEL,
author = "B. Champagne and J. G. Fripiat and D. H. Mosley and
J.-M. Andr{\'e}",
title = "On the Convergence of the Exchange-like Sums in the
Random Phase Approximation Applied to Stereoregular
Polymers",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "429--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Gauss:1995:CMC,
author = "J. Gauss and K. Ruud",
title = "On the Convergence of {MBPT} and cc Nuclear Magnetic
Shielding Constants of {BH} Towards the Full {CI}
Limit",
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volume = "29",
pages = "437--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
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}
@Article{Tossell:1995:UNS,
author = "J. A. Tossell",
title = "Using {NMR} Shielding Calculations to Help Determine
Local and Midrange Order in Amorphous Materials",
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volume = "29",
pages = "443--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
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@Article{Bruna:1995:SBI,
author = "P. J. Bruna and R. C. Mawhinney and F. Grein",
title = "Stability of {BN} and Its Ions, from {BN$_3^+$} to
{BN$_2^-$}. An Ab Initio {MRD-CI} Study",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "455--??",
year = "1995",
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bibdate = "Wed Jan 3 14:24:13 MST 1996",
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}
@Article{Cammi:1995:NST,
author = "R. Cammi and J. Tomasi",
title = "Nonequilibrium Solvation Theory for the Polarizable
Continuum Model: {A} New Formulation at the {SCF} Level
with Application to the Case of the Frequency-Dependent
Linear Electric Response Function",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "465--??",
year = "1995",
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}
@Article{Bernholdt:1995:PCC,
author = "D. E. Bernholdt and E. Apra and H. A. Fruchtl and M.
F. Guest and R. J. Harrison and R. A. Kendall and R. A.
Kutteh and X. Long and J. B. Nicholas and J. A. Nichols
and H. L. Taylor and A. T. Wong and G. I. Fann and R.
J. Littlefield and J. Nieplocha",
title = "Parallel Computational Chemistry Made Easier: The
Development of {NWChem}",
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pages = "475--??",
year = "1995",
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}
@Article{Windus:1995:PAT,
author = "T. L. Windus and J. A. Pople",
title = "{Pinnacle}: An Approach Toward Object Oriented Quantum
Chemistry",
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pages = "485--??",
year = "1995",
CODEN = "IJQSDI",
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}
@Article{Adant:1995:ISN,
author = "C. Adant and M. Dupuis and J. L. Br{\'e}das",
title = "Ab Initio Study of the Nonlinear Optical Properties of
Urea: Electron Correlation and Dispersion Effect",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "497--??",
year = "1995",
CODEN = "IJQSDI",
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bibdate = "Wed Jan 3 14:24:13 MST 1996",
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}
@Article{Lee:1995:TSM,
author = "S-L Lee and K-C Yang and J-H Sheu and Y.-J. Lu",
title = "Theoretical Studies of the Molecular Second-Order
Hyperpolarizabilities of Polycyclic Aromatics",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "509--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
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}
@Article{vanDuijnen:1995:UD,
author = "P. Th. {van Duijnen} and A. H. {de Vries}",
title = "Utopia Dielectrica",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "523--??",
year = "1995",
CODEN = "IJQSDI",
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bibdate = "Wed Jan 3 14:24:13 MST 1996",
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}
@Article{Bahn:1995:TSL,
author = "C. S. Bahn and C. J. Lauderdale and R. T. Carlin",
title = "A Theoretical Study of Lithium Ion and Aromatic
Organic Cation Graphite Intercalates",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "533--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
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}
@Article{Medvedeva:1995:ODO,
author = "N. I. Medvedeva and V. A. Gubanov and D. L. Novikov
and B. M. Klein",
title = "Oxygen Defects Ordering in {d-Bi$_2$O$_3$}: {LMTO-ASA}
and {FPLMTO} Calculations",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "541--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
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}
@Article{Castillo:1995:TSR,
author = "S. Castillo and A. Cruz and A. Cuan and A.
Ramirez-Solis and E. Poulain and G. {Del Angel}",
title = "Theoretical Study of the Rhodium Dimer Interaction
with the Hydrogen Molecule",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "549--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Probst:1995:IBN,
author = "M. Probst",
title = "The Interaction Between Nitrate Anion and the Cations
{Li}$^+$, {Mg$_2^+$}, and {Ca$_2^+$}: Frequencies and
Binding Sites",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "559--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Kar:1995:PTE,
author = "T. Kar and S. Scheiner",
title = "Proton Transfer in {${\rm H}_5{\rm O}_2^+$} and {${\rm
H}_3{\rm O_2}^-$} with an External Restraining Force",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "567--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Manaa:1995:FSA,
author = "M. R. Manaa",
title = "The Fragmentation of {SH(A$_2$S+)}: Ab Initio
Calculations of Spin-Orbit and {Coriolis}
Interactions",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "577--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Flock:1995:IHB,
author = "M. Flock",
title = "Intramolecular Hydrogen Bonding of
$d$-Hydroxypentanoic Acid",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "585--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{OLeary:1995:SSS,
author = "P. O'Leary and J. R. Thomas and H. F. {Schaefer, III}
and B. J. Duke and B. O'Leary",
title = "A Study of the Silagermylyne ({SiGeH$_2$}) Molecule:
{A} New Monobridged Structure",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "593--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Boudreaux:1995:SMM,
author = "E. A. Boudreaux and E. Baxter",
title = "{SC-MEH-MO} Calculations on Lanthanide Systems. {II}.
(Sm(Cp*)$^+$), Sm(Cp*)$^{2+}$, and the
[Sm(Cp*)]$^{8+}_4$ Tetrameter",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "605--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Dijkstra:1995:ECE,
author = "F. Dijkstra and W. A. de Jong and W. C. Nieuwpoort",
title = "Electron Correlation Effects on the f6-Manifold of the
(Eu$^{3+}$) Impurity in {Ba$_2$GdNbO$_6$}",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "609--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Cheng:1995:QMS,
author = "H.-P. Cheng and R. N. Barnett and U. Landman",
title = "Quantum Mechanical Simulations of Water and Ammonia
Molecules and Their Clusters",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "615--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Seminario:1995:MDS,
author = "J. M. Seminario and M. C. Concha and P. Politzer",
title = "Molecular Dynamics Simulation of Liquid Nitromethane
Shocked to 143 kbar",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "621--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Alexander:1995:HEE,
author = "S. A. Alexander and R. L. Coldwell and R. E. Hoffmeyer
and A. J. Thakkar",
title = "High-Energy Electron and {X}-ray Scattering from
{H$_2$} Using {Monte Carlo} Techniques",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "627--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Martin:1995:ETR,
author = "I. Martin and P. Campo and C. Lavin",
title = "Electronic Transitions in the {Rydberg} Radical
{H$_3$O}",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "631--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Silva:1995:TDL,
author = "C. O. da Silva and E. C. da Silva and M. A. C.
Nascimento",
title = "Theoretical Description of the Low-Lying Valance
States of the {MgC} Molecule",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "639--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Hess:1995:CIS,
author = "B. A. {Hess, Jr.} and L. Smentek",
title = "Calculated Infrared Spectra of Unstable Organic
Molecules and Reactive Intermediates",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "647--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Ojamae:1995:PES,
author = "L. Ojamae and I. Shavitt and S. J. Singer",
title = "Potential Energy Surfaces and Vibrational Spectra of
{H$_5$O}$^{2+}$ and Larger Hydrated Proton Complexes",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "657--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Ishikawa:1995:SSH,
author = "Y. Ishikawa and R. C. {Binning, Jr.} and H. Sekino",
title = "Stable Structures of {Na(H$_2$O)$_n$} {$(n = 1
\ldots{} 3)$} Clusters by Ab Initio Simulated
Annealing",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "669--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Fuks:1995:NEP,
author = "D. Fuks and S. Dorfman and G. Davidov",
title = "Nonempirical Effective Potential Approach in
Consistent Thermodynamics of Solid and Liquid
Tungsten",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "675--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Beltran:1995:MSC,
author = "A. Beltran and J. A. Igualada and R. Llusar and J.
Andres",
title = "{MgAl$_2$O$_4$} Spinel Crystal Structure An Ab Initio
Perturbed Ion Study",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "685--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Cossi:1995:AEF,
author = "M. Cossi and J. Tomasi and R. Cammi",
title = "Analytical Expressions of the Free Energy Derivatives
for Molecules in Solution. Application to the Geometry
Optimization",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "695--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Green:1995:KMS,
author = "A. E. S. Green and H. Xue",
title = "Kinetic Modeling of Spectra of Flames with
Suppressants",
journal = j-IJQC-QC-SYMP,
volume = "29",
pages = "703--??",
year = "1995",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Ohrn:1996:I,
author = "N. {\"O}hrn and J. R. Sabin and M. C. Zerner",
title = "Introduction",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "1--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Bergson:1996:CIR,
author = "G. Bergson",
title = "The {Chairman}'s Introductory Remark",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "3--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Levitina:1996:PWNc,
author = "T. Levitina and E. J. Brandas",
title = "Partial Waves in the Nonspherical Case",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "5--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Kawabe:1996:PIMc,
author = "H. Kawabe and H. Nagao and K. Nishikawa",
title = "Path Integral {Monte Carlo} Method for Ab Initio
Calculation",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "11--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Hagmann:1996:ENMc,
author = "M. J. Hagmann",
title = "Efficient Numerical Method for Finding the Initial
Response of Quantum Processes to Changes in the
Potential",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "19--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Zakrzewski:1996:DARc,
author = "V. J. Zakrzewski and O. Dolgounitcheva and J. V.
Ortiz",
title = "Direct Algorithm for the Random-Phase Approximation",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "29--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Rincon:1996:CCCc,
author = "L. Rincon",
title = "Computation of Curve-Crossing Diagrams by Approximate
Valence Bond Method",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "37--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Jones:1996:EAFc,
author = "H. W. Jones and J. L. Jain",
title = "Evaluation of the Alpha-Function for Large Parameter
Values",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "45--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Nagao:1996:NTMc,
author = "H. Nagao and K. Kodama and Y. Shigeta and N. Nishikawa
and H. Kawabe and M. Nakano and K. Yamaguchi",
title = "Nonadiabatic Treatment of Molecular Systems by the
Wavepackets Method",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "49--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Seminario:1996:CIFc,
author = "J. M. Seminario",
title = "Calculation of Intramolecular Force Fields from
Second-Derivative Tensors",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "59--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Adams:1996:IPTc,
author = "W. H. Adams",
title = "Intermolecular Perturbation Theory: Renormalized
Interaction Energies",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "67--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Nagao:1996:MEWc,
author = "H. Nagao and M. Nakano and S. Yamanaka and S. Yamada
and D. Yamaki and I. Shigemoto and S. Kiribayashi and
K. Yamaguchi and Y. Shigeta",
title = "Many-Electron-Wavepackets Method",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "79--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Nagaoka:1996:SPIc,
author = "M. Nagaoka",
title = "Stochastic Path-Integral Method for Chemical Reaction
Dynamics: Application to the Full {$3$D} {H$_3$}
System",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "91--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Koures:1996:SCQc,
author = "V. G. Koures and F. E. Harris",
title = "Sinc Collocation in Quantum Chemistry: Solving the
Planar {Coulomb} {Schr{\"o}dinger} Equation",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "99--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ten-No:1996:AERc,
author = "S. Ten-No and S. Iwata",
title = "On Approximating Electron Repulsion Integrals with
Linear Combination of Atomic-Electron Distributions",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "107--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Wenzel:1996:MBSc,
author = "W. Wenzel and M. M. Steiner and K. G. Wilson",
title = "Multireference Basis-Set Reduction",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "113--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Broo:1996:BSCc,
author = "A. Broo",
title = "Basis Set and Correlation Effects on Geometry of
Octahedral Second-Row Transition-Metal Complexes",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "119--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Boettger:1996:GFFc,
author = "J. C. Boettger",
title = "{Gaussian} Fitting Function Basis Sets for Crystalline
Silicon: Bond-Centered $s$-Type vs. Site-Centered
$f$-Type",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "133--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Seminario:1996:RETc,
author = "J. M. Seminario and P. Politzer and H. J. Soscun-M.
and A. G. Zacarias",
title = "Reaction Energetics of Tetrahedrane and Other
Hydrocarbons: Ab Initio and Density Functional
Treatments",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "139--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ziesche:1996:ATPc,
author = "P. Ziesche",
title = "Attempts Toward a Pair Density Functional Theory",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "149--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Gritsenko:1996:OMEc,
author = "O. V. Gritsenko and R. {Van Leeuwen} and E. J.
Baerends",
title = "On the Optimal Mixing of the Exchange Energy and the
Electron-Electron Interaction Part of the
Exchange-Correlation Energy",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "163--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Schulz:1996:RAMc,
author = "L. Schulz and H. Chojnacki",
title = "Resemblance Analysis of Molecular Systems on the
Grounds of {DFT-Evaluated} Parameters. Platinum
Complexes and Their Anticancer Activity",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "173--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Petersilka:1996:SMEb,
author = "M. Petersilka and E. K. U. Gross",
title = "Spin-Multiplet Energies from Time-Dependent Density
Functional Theory",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "181--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ivanov:1996:SMLc,
author = "S. Ivanov",
title = "Simple Modification of the {Lee--Yang--Parr}
Correlation Functional to Satisfy Exact Nonuniform
Scaling Requirements",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "191--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Boegel:1996:DCAc,
author = "H. Boegel and S. Tobisch",
title = "{DFT} Calculations of Alternative Structures in the
Allyl-Nickel Catalyzed Polymerization of Butadiene",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "197--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Zacarias:1996:DFSc,
author = "A. Zacarias and M. Castro",
title = "Density Functional Study of {Fe$_2$-N$_2$}",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "207--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Sosa:1996:ESPc,
author = "R. M. Sosa and P. Gardiol",
title = "Electronic Structure and Properties of {MCO} and
{M$_5$CO} Carbonyls ({M = {Fe}, {Ni}, {Cu}}) by Density
Functional Methods",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "217--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Heinonen:1996:EDFc,
author = "O. Heinonen and M. I. Lubin and M. D. Johnson",
title = "Ensemble Density Functional Theory for Inhomogeneous
Fractional Quantum {Hall} Systems",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "231--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Eguiluz:1996:LRQc,
author = "A. G. Eguiluz",
title = "Linear Response and Quasiparticle Calculations as
Probes of the {Kohn--Sham} Eigenvalues in Metals",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "245--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{DaCosta:1996:IPLc,
author = "H. F. M. DaCosta and D. A. Micha and K. Runge",
title = "Intensity and Polarization of Light Emitted in Slow
Ion-Atom Collisions",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "257--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Guo:1996:HQCc,
author = "H. Guo and L. Liu",
title = "Hybrid Quantum\slash Classical Studies of
Photodissociation and Recombination of {I$_2$(A)} in
Rare Gas Matrices: {A} Linear Chain Model",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "267--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Flamant:1996:FSAc,
author = "I. Flamant and J. G. Fripiat and J. Delhalle",
title = "{Fourier} Space for Accurate Ab Initio {RHF} Band
Structure Calculations on Chainlike Systems",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "275--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Das:1996:IDTc,
author = "G. P. Das and A. T. Yeates and D. S. Dudis",
title = "Iodine-Doped Transpolyacetylene",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "287--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Deleuze:1996:TSXc,
author = "M. Deleuze and J. Delhalle",
title = "Theoretical Study of the {X}-ray Photoionization
Spectra of Polycycloalkanes",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "293--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Arteca:1996:MSTc,
author = "G. A. Arteca",
title = "Molecular Shape Transitions in Grafted Polymers Under
Geometrical Confinement",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "303--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Gorb:1996:MLSc,
author = "L. G. Gorb and J.-L. Rivail and V. Thery and D.
Rinaldi",
title = "Modification of the Local Self-Consistent Field Method
for Modeling Surface Reactivity of Covalent Solids",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "313--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Vieira:1996:SECc,
author = "A. Vieira and C. Fiolhais and M. Brajczewska and J. P.
Perdew",
title = "Self-Expansion and Compression of Charged Clusters of
Stabilized Jellium",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "325--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{March:1996:FERc,
author = "N. H. March and A. M. L. Nip and J. A. Tuszynski",
title = "Free Energy in Relation to Order Parameter in Magnets
and Pyroelectrics",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "337--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lino:1996:BCDc,
author = "A. T. Lino and E. K. Takahashi and L. M. R. Scolfaro
and J. R. Leite",
title = "Behavior of Carriers in $d$-Doped Quantum Wells Under
In-Plane Magnetic Fields",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "347--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lee:1996:CSLc,
author = "S.-L. Lee and M.-L. Sun and Z. Slanina",
title = "Computational Studies of Less Common Fullerene-Related
Species",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "355--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Yan:1996:IIRc,
author = "J.-M. Yan and C.-B. Zhu and Z.-J. Xu",
title = "Investigation on the Interaction and the Rotation of
{${\rm C}_{60}$} in Alkali-Doped Complexes {AxA'3} ---
{x{${\rm C}_{60}$} ($X = 1, 2, 3$; {A}, {A}' =
Alkali)}",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "365--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Stavrev:1996:CTMc,
author = "K. K. Stavrev and T. Tamm and M. C. Zerner",
title = "Comparison of Theoretical Models of Solvation",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "373--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{McGill:1996:UTDc,
author = "R. A. McGill and J. K. Rice and A. P. Baronavski and
J. C. Owrutsky and A. H. Lowrey and K. K. Stavrev and
T. Tamm and M. C. Zerner",
title = "Using Theoretical Descriptors to Model Solvent Effects
in the Isomerization of cis-Stilbene",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "383--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Watanabe:1996:DPTc,
author = "H. Watanabe and S. Iwata",
title = "Does the Proton-Transfer Reaction Take Place in the
Ground State of {Phenol-(H$_2$O)$_4$} Clusters?",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "395--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Truong:1996:GCLc,
author = "T. N. Truong and U. N. Nguyen and E. V. Stefanovich",
title = "Generalized Conductor-like Screening Model ({GCOSMO})
for Solvation: An Assessment of Its Accuracy and
Applicability",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "403--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Tong:1996:ACBc,
author = "W. Tong and R. C. Morrison and O. W. {Day, Jr.}",
title = "Analysis of Chemical Bonding in {${\rm C}_2$} Using
{Dyson} Orbitals",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "411--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Doerksen:1996:PHMc,
author = "R. J. Doerksen and A. J. Thakkar",
title = "Polarizabilities of Heteroaromatic Molecules: Azines
Revisited",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "421--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Zhang:1996:NHHc,
author = "L. Zhang and P. Winkler",
title = "Negative Hydrogen and Helium in a Variety of {Debye}
Plasmas",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "431--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{CostaCabral:1996:CPEb,
author = "B. J. {Costa Cabral}",
title = "Condensed-Phase Effects on the Conformational
Equilibrium of Ethylene Glycol",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "439--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Grein:1996:SFTc,
author = "F. Grein and M. R. J. Hachey",
title = "The $\pi, \pi^*$ state in formaldehyde and
thioformaldehyde",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "449--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Boudreaux:1996:SMCc,
author = "E. A. Boudreaux",
title = "{SCMEH-MO} Calculations on Lanthanide Systems. {III}.
{Ln(CO)$_6$}, {Ln(OC)$_6$} ({Ln} = {Nd}, {Sm})",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "461--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Lushington:1996:ETMc,
author = "G. H. Lushington and F. Grein",
title = "The Electronic $g$-Tensor of {MgF}: {A} Comparison of
{ROHF} and {MRD-CI} Level Results",
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volume = "30",
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pages = "467--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
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bibdate = "Sat May 17 16:05:48 MDT 1997",
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}
@Article{Chelkowski:1996:WFSc,
author = "S. Chelkowski and A. D. Bandrauk",
title = "Wave-Function Splitting Technique for Calculating
Above-Threshold Ionization Electron Spectra",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "473--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Huang:1996:KPMc,
author = "L. Huang and L. Massa and J. Karle",
title = "Kernel Projector Matrices for Leu$^1$-Zervamicin",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "479--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
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}
@Article{Koizumi:1996:FMCc,
author = "H. Koizumi and Y. Fukumoto",
title = "Fission of Metal Clusters: {A} Comparison of Jellium
Model Calculations and Shell Correction Method
Calculations",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "489--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Chen:1996:CTCc,
author = "C. Chen and K.-C. Sun",
title = "Comparisons of the Theoretical Calculation of Nitrogen
Clusters by Semiempirical {MO} Method",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "497--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Elabsy:1996:CESc,
author = "A. M. Elabsy and P. Csavinszky",
title = "Combined Effect of the Screening of a Donor Ion and
the Conduction Band Non (??)arabolicity on the Binding
Energy of a Donor at the Center of a Spherical",
journal = j-IJQC-QC-SYMP,
volume = "30",
number = "??",
pages = "507--??",
month = "????",
year = "1996",
CODEN = "IJQSDI",
ISSN = "0161-3642",
bibdate = "Sat May 17 16:05:48 MDT 1997",
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}
@Article{Linderberg:1994:CPT,
author = "J. Linderberg",
title = "Correlation and Propagation in Time",
journal = j-IJQC-SYMP,
volume = "28",
pages = "7--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
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}
@Article{Diz:1994:END,
author = "A. Diz and Y. {\"O}hrn",
title = "Electron-Nuclear Dynamics of Molecular Systems",
journal = j-IJQC-SYMP,
volume = "28",
pages = "11--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
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}
@Article{Zakrzewski:1994:SAE,
author = "V. G. Zakrzewski and J. V. Ortiz",
title = "Semidirect Algorithms in Electron Propagator
Calculations",
journal = j-IJQC-SYMP,
volume = "28",
pages = "23--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Medikeri:1994:TMR,
author = "M. N. Medikeri and M. K. Mishra",
title = "Treatment of Molecular Resonances Using the
Bi-Orthogonal Dilated Electron Propagator with
Application to the {$^2\Pi_g$} Shape Resonance in
{e-N$_2$} Scattering",
journal = j-IJQC-SYMP,
volume = "28",
pages = "29--37",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Perez:1994:EIA,
author = "J. E. Perez and H. H. Cuenya and R. H. Contreras and
F. S. Ortiz",
title = "Evaluation of Integrals Appearing in the {Hylleraas}
{CI} Method by Expanding $1/r_y$ in Terms of a Complete
Basis Set",
journal = j-IJQC-SYMP,
volume = "28",
pages = "39--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Costa:1994:SCC,
author = "H. F. M. Da Costa and D. A. Micha",
title = "Self-Consistent Coupling of Atomic Orbitals to a
Moving Charge",
journal = j-IJQC-SYMP,
volume = "28",
pages = "49--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Jiang:1994:ARQ,
author = "T.-F. Jiang and J.-M. Yuan",
title = "Aspects Related to Quantum Studies of Multiphoton
Excitation and Dissociation of Diatomic Molecules",
journal = j-IJQC-SYMP,
volume = "28",
pages = "65--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Nesbet:1994:ESM,
author = "R. K. Nesbet",
title = "Electron Scattering Mechanisms in Giant
Magnetoresistance Computed by the {LACO} Full-Potential
Method",
journal = j-IJQC-SYMP,
volume = "28",
pages = "77--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Lagana:1994:PDC,
author = "A. Lagana and O. Gervasi and R. Baraglia and D.
Laforenza",
title = "From Parallel to Distributed Computing for Reactive
Scattering Calculations",
journal = j-IJQC-SYMP,
volume = "28",
pages = "85--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Zhan:1994:CFR,
author = "H. Zhan and Y. Zhang and P. Winkler",
title = "The Calculation of {Feshbach} Resonances Using Coupled
Propagator Equations",
journal = j-IJQC-SYMP,
volume = "28",
pages = "103--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Atabek:1994:IEL,
author = "O. Atabek",
title = "Isotope Effects in Laser-Induced Multiphoton Molecular
Dynamics",
journal = j-IJQC-SYMP,
volume = "28",
pages = "113--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{White:1994:CPT,
author = "C. T. White and S. B. Sinnott and J. W. Mintmire and
D. W. Brenner",
title = "Chemistry and Phase Transitions from Hypervelocity
Impacts",
journal = j-IJQC-SYMP,
volume = "28",
pages = "129--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Taneri:1994:EGT,
author = "U. Taneri and J. Paldus",
title = "Evaluation of Group Theoretical Characteristics Using
the Symbolic Manipulation Language {MAPLE}",
journal = j-IJQC-SYMP,
volume = "28",
pages = "139--154",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Sat May 17 17:47:13 1997",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Bishop:1994:CCT,
author = "R. F. Bishop and Y. Xian",
title = "The Coupled Cluster Theory of Quantum Lattice
Systems",
journal = j-IJQC-SYMP,
volume = "28",
pages = "155--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Broeckhove:1994:IRM,
author = "J. Broeckhove and B. Feyen and P. {Van Leuven}",
title = "Influence of Rotation on Multiphoton Processes in
{HF}",
journal = j-IJQC-SYMP,
volume = "28",
pages = "173--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Benson:1994:ECP,
author = "M. T. Benson and T. R. Cundari and Y. Li and L. A.
Strohecker",
title = "Effective Core Potential Study of Multiply Bonded
Transition Metal Complexes of the Heavier Main Group
Elements",
journal = j-IJQC-SYMP,
volume = "28",
pages = "181--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Watts:1994:CCS,
author = "J. D. Watts and R. J. Bartlett",
title = "Coupled-Cluster Singles, Doubles, and Triples
Calculations with {Hartree--Fock} and {Brueckner}
Orbital Reference Determinants: {A} Comparative Study",
journal = j-IJQC-SYMP,
volume = "28",
pages = "195--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Eliav:1994:RCC,
author = "E. Eliav and U. Kaldor and Y. Ishikawa",
title = "Relativistic Coupled Cluster Theory Based on the
{No-Pair} {Dirac--Coulomb--Breit} {Hamiltonian}:
Relativistic Pair Correlation Energies of the {Xe}
Atom",
journal = j-IJQC-SYMP,
volume = "28",
pages = "205--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ho:1994:TAV,
author = "M. Ho and H. Schmider and K. E. Edgecombe and V. H.
Smith",
title = "Topological Analysis of Valence Electron Charge
Distributions from Semiempirical and Ab Initio
Methods",
journal = j-IJQC-SYMP,
volume = "28",
pages = "215--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Csavinszky:1994:CSL,
author = "P. Csavinszky",
title = "Convergence of a Sequence of Lower Bounds for $<1/r>$
for the Noble Gas, Alkali, and Alkaline Earth Atoms",
journal = j-IJQC-SYMP,
volume = "28",
pages = "227--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Cedillo:1994:NRG,
author = "A. Cedillo",
title = "A New Representation for Ground States and Its
{Legendre} Transforms",
journal = j-IJQC-SYMP,
volume = "28",
pages = "231--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Sat Aug 17 16:24:00 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Nunez:1994:NAB,
author = "M. A. Nu{\~n}ez and G. B. Izquierdo",
title = "New Approximation to the Bound States of
{Schr{\"o}dinger} Operators with {Coulomb}
Interaction",
journal = j-IJQC-SYMP,
volume = "28",
pages = "241--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Schuch:1994:FND,
author = "D. Schuch",
title = "On a Form of Nonlinear Dissipative Wave Mechanics
Valid in Position- and Momentum-Space",
journal = j-IJQC-SYMP,
volume = "28",
pages = "251--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Palma:1994:FCF,
author = "A. Palma and L. Sandoval and M. Martin",
title = "{Franck--Condon} Factors and Squeezed States",
journal = j-IJQC-SYMP,
volume = "28",
pages = "261--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Canuto:1994:EEC,
author = "S. Canuto",
title = "Extreme Electron Correlation Effects on the Electric
Properties of Atomic Anions",
journal = j-IJQC-SYMP,
volume = "28",
pages = "265--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Hagmann:1994:EFD,
author = "M. J. Hagmann",
title = "Effects of the Finite Duration of Quantum Tunneling in
Laser-Assisted Scanning Tunneling Microscopy",
journal = j-IJQC-SYMP,
volume = "28",
pages = "271--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Nobel:1994:TII,
author = "J. A. Nobel and J. R. Sabin and S. B. Trickey",
title = "Theoretical Ion Implantation Profiles for Low Energy
Protons under Channeling Conditions",
journal = j-IJQC-SYMP,
volume = "28",
pages = "283--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Wu:1994:EDP,
author = "J. Z. Wu and S. B. Trickey and J. R. Sabin and J.
Nobel",
title = "Energy Depositions of Protons in Allotropic Carbon
Ultrathin Films",
journal = j-IJQC-SYMP,
volume = "28",
pages = "299--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Morrison:1994:ELA,
author = "R. C. Morrison and C. M. Dixon and J. R. Mizell",
title = "Examination of the Limits of Accuracy of the Extended
{Koopmans}' Theorem Ionization Potentials into Excited
States of Ions of {LiH}, {He$_2$}, and {Li$_2$}",
journal = j-IJQC-SYMP,
volume = "28",
pages = "309--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Rauk:1994:CTT,
author = "A. Rauk and T. B. Freedman",
title = "Chiroptical Techniques and Their Relationship to
Biological Molecules, Big or Small",
journal = j-IJQC-SYMP,
volume = "28",
pages = "315--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
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}
@Article{Diercksen:1994:MSC,
author = "G. H. F. Diercksen and M. Karelson and T. Tamm and M.
C. Zerner",
title = "Multicavity {SCRF} Calculation of Ion Hydration
Energies",
journal = j-IJQC-SYMP,
volume = "28",
pages = "339--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Kirschner:1994:QMI,
author = "K. N. Kirschner and G. C. Shields",
title = "Quantum-Mechanical Investigation of Large Water
Clusters",
journal = j-IJQC-SYMP,
volume = "28",
pages = "349--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{BiccadeAlencastro:1994:SEE,
author = "R. {Bicca de Alencastro} and J. D. Da Motta Neto and
M. C. Zerner",
title = "Solvent Effects on the Electronic Spectrum of
{Reichardt}'s Dye",
journal = j-IJQC-SYMP,
volume = "28",
pages = "361--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Pluta:1994:DHE,
author = "Tadeusz Pluta and Jozef Noga and Rodney J. Bartlett",
title = "Determination of Higher Electric Polarizability
Tensors from Unrelaxed Coupled Cluster Density Matrix
Calculations of Electric Multipole Moments",
journal = j-IJQC-SYMP,
volume = "28",
pages = "379--393",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Sat Apr 24 09:17:53 1999",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Prasad:1994:NOE,
author = "P. N. Prasad and S. P. Karna",
title = "Nonlinear Optical Effects in Molecules and Polymers:
Issues and Opportunities",
journal = j-IJQC-SYMP,
volume = "28",
pages = "395--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Levine:1994:COS,
author = "Z. H. Levine",
title = "Calculation of Optical Second-Harmonic
Susceptibilities and Optical Activity for Crystals",
journal = j-IJQC-SYMP,
volume = "28",
pages = "411--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{March:1994:RBMc,
author = "N. H. March",
title = "The Relation between Magnetism and Electronic
Transport Properties in Strongly Correlated Electron
Liquids, Including High ${T}_c$ Materials",
journal = j-IJQC-SYMP,
volume = "28",
pages = "421--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Arteca:1994:CED,
author = "G. A. Arteca",
title = "Complexity of Entanglements and Degree of Folding in
Branched Polymers with Excluded-Volume Interaction",
journal = j-IJQC-SYMP,
volume = "28",
pages = "433--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Mon Feb 05 13:20:42 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Mosley:1994:IIS,
author = "D. H. Mosley and J. G. Fripiat and B. Champagne and
J.-M Andr{\'e}",
title = "Ab Initio Investigation of the Static Polarizability
of Planar and Twisted Infinite Polythiophene Chains",
journal = j-IJQC-SYMP,
volume = "28",
pages = "451--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Flamant:1994:DES,
author = "I. Flamant and D. H. Mosley and M. Deleuze and J.-M.
Andr{\'e}",
title = "Dependence of the Electronic Structure on the Chain
Geometry in Stereoregular Polypropylene: An Exploratory
Theoretical Study",
journal = j-IJQC-SYMP,
volume = "28",
pages = "469--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Loegdlund:1994:SSI,
author = "M. Loegdlund and J. L. Br{\'e}das",
title = "Semiempirical Studies of the Interaction between
Metals and --- Conjugated Polymers: Sodium on
Diphenylpolyenes and Aluminum on
Poly(p-phenylenevinylene) and Derivatives",
journal = j-IJQC-SYMP,
volume = "28",
pages = "481--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Klein:1994:ECI,
author = "D. J. Klein and X. Liu",
title = "Elemental Carbon Isomerism",
journal = j-IJQC-SYMP,
volume = "28",
pages = "501--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Trinajstic:1994:NNS,
author = "N. Trinajsti{\'c} and Z. Mihali{\'c} and F. E.
Harris",
title = "A Note on the Number of Spanning Trees in
Buckminsterfullerene",
journal = j-IJQC-SYMP,
volume = "28",
pages = "525--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Ikegami:1994:TSN,
author = "T. Ikegami and S. Iwata",
title = "Theoretical Study on the Non-Adiabatic
Photodissociation Process of Argon Cluster Ions
{Ar0+7}",
journal = j-IJQC-SYMP,
volume = "28",
pages = "529--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Keshari:1994:FPM,
author = "V. Keshari and Y. Ishikawa",
title = "First-Principles {Monte Carlo} Simulated Annealing
Study of the Structures and Properties of Hydrogenated
Lithium Clusters",
journal = j-IJQC-SYMP,
volume = "28",
pages = "541--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Probst:1994:ICT,
author = "M. Probst",
title = "On the Interaction of Cyanate and Thiocyanate Anions
with {Li0}$^+$ and {Mg0$_2$0}$^+$",
journal = j-IJQC-SYMP,
volume = "28",
pages = "553--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Boudreaux:1994:SMM,
author = "E. A. Boudreaux and E. Baxter",
title = "{SC-MEH-MO} Calculations on Lanthanide Systems. {I}.
{Sm(Cp0*)$_2$},
{bis(Pentamethyl-Cyclopentaldienyl)Sm(II)}",
journal = j-IJQC-SYMP,
volume = "28",
pages = "565--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Piquini:1994:SES,
author = "P. Piquini and S. Canuto and A. Fazzio",
title = "Structural and Electronic Studies of {Ga$_3$As$_3$},
{Ga$_4$As$_3$}, and {Ga$_3$As$_4$}",
journal = j-IJQC-SYMP,
volume = "28",
pages = "571--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Magers:1994:DDD,
author = "D. H. Magers and R. B. Hood and J. Leszczynski",
title = "Diborane, Dialane, and Digallane: Accurate Geometries
and Vibrational Frequencies",
journal = j-IJQC-SYMP,
volume = "28",
pages = "579--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Haeberlen:1994:RDF,
author = "O. D. Haeberlen and S.-C. Chung and N. Roesch",
title = "Relativistic Density-Functional Studies of Naked and
Ligated Gold Clusters",
journal = j-IJQC-SYMP,
volume = "28",
pages = "595--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Theilhaber:1994:DMM,
author = "J. Theilhaber",
title = "Dynamics of Metallic and Molecular Hydrogen through
Density-Functional Simulations",
journal = j-IJQC-SYMP,
volume = "28",
pages = "611--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Fri Jan 05 06:13:48 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Becke:1994:TTK,
author = "A. D. Becke",
title = "Thermochemical Tests of a Kinetic-Energy Dependent
Exchange-Correlation Approximation",
journal = j-IJQC-SYMP,
volume = "28",
pages = "625--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Causa:1994:DFL,
author = "M. Causa and A. Zupan",
title = "Density-Functional {LCAO} Calculations for Solids:
Comparison between {Hartree--Fock} and {Kohn--Sham}
Structural Properties",
journal = j-IJQC-SYMP,
volume = "28",
pages = "633--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Sirois:1994:DFS,
author = "S. Sirois and M. Castro and D. R. Salahub",
title = "A Density Functional Study of the Interaction of
{CO$_2$} with a {Pd} Atom",
journal = j-IJQC-SYMP,
volume = "28",
pages = "645--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Sat Aug 17 16:24:16 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Seminario:1994:SSS,
author = "J. M. Seminario",
title = "A Study of Small Systems Containing {H} and {O} Atoms
Using Nonlocal Functionals: Comparisons with Ab Initio
and Experiment",
journal = j-IJQC-SYMP,
volume = "28",
pages = "655--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Scolfaro:1994:EPM,
author = "L. M. R. Scolfaro and D. Beliaev and J. R. Leite and
A. T. Lino",
title = "Electronic Properties of Multiple Delta-Doped Layers
in Silicon and {GaAs}",
journal = j-IJQC-SYMP,
volume = "28",
pages = "667--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Boettger:1994:QSE,
author = "J. C. Boettger and U. Birkenheuer and N. Roesch and S.
B. Trickey",
title = "Quantum Size Effects in Hexagonal Aluminum Films",
journal = j-IJQC-SYMP,
volume = "28",
pages = "675--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
@Article{Mei:1994:RDH,
author = "C. Mei and V. H. Smith",
title = "On the Role of Doping in High-{$T_c$}
Superconductors",
journal = j-IJQC-SYMP,
volume = "28",
pages = "687--??",
year = "1994",
CODEN = "IJQSAF",
ISSN = "0538-821X",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc.bib",
acknowledgement = ack-nhfb,
}
