@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/jour
