%%% -*-BibTeX-*-
%%% ====================================================================
%%% BibTeX-file{
%%% author = "Nelson H. F. Beebe",
%%% version = "0.27",
%%% date = "23 March 2007",
%%% time = "06:56:17 MDT",
%%% filename = "ijqc.bib",
%%% address = "University of Utah
%%% Department of Mathematics, 110 LCB
%%% 155 S 1400 E RM 233
%%% Salt Lake City, UT 84112-0090
%%% USA",
%%% telephone = "+1 801 581 5254",
%%% FAX = "+1 801 585 1640, +1 801 581 4148",
%%% URL = "http://www.math.utah.edu/~beebe",
%%% checksum = "47019 56213 211066 2072916",
%%% email = "beebe at math.utah.edu, beebe at acm.org,
%%% beebe at computer.org, beebe at ieee.org
%%% (Internet)",
%%% codetable = "ISO/ASCII",
%%% keywords = "bibliography, BibTeX, International Journal
%%% of Quantum Chemistry, IJQC",
%%% license = "public domain",
%%% supported = "no",
%%% docstring = "This is a VERY PRELIMINARY bibliography of
%%% publications in the International Journal of
%%% Quantum Chemistry (CODEN IJQCB2, ISSN
%%% 0020-7608 (print), 1097-461X (electronic)),
%%% published by John Wiley and Sons, Inc., for
%%% the years 1967--1999. A companion
%%% bibliography, ijqc2000.bib covers later
%%% years.
%%%
%%% The publisher maintains a World-Wide Web site
%%% for the journal at
%%%
%%% http://www.interscience.wiley.com/jpages/0020-7608/
%%%
%%% but to follow the pointer to the
%%% tables-of-contents requires an account with
%%% the publisher.
%%%
%%% #############################################
%%% # This bibliography is dedicated to the #
%%% # memory of Per-Olov Lowdin, 28 October #
%%% # 1916 -- 6 October 2000. #
%%% # #
%%% # Per-Olov was an outstanding teacher and #
%%% # researcher, founder of the Uppsala Summer #
%%% # School and Florida Winter School in #
%%% # Quantum Chemistry (attended by thousands #
%%% # of scientists from scores of countries), #
%%% # founder of the Sanibel Conferences in #
%%% # Quantum Chemistry and Quantum Biology (he #
%%% # attended the 40th in March 2000), founder #
%%% # and Editor-in-Chief of the International #
%%% # Journal of Quantum Chemistry, and founder #
%%% # and Editor-in-Chief of the Academic Press #
%%% # book series, Advances in Quantum #
%%% # Chemistry, fondly known to many of us as #
%%% # Adventures in .... :^) #
%%% # #
%%% # Per-Olov was an inspiring role model to a #
%%% # great many people, and was also my thesis #
%%% # co-advisor. We miss him, and we thank #
%%% # him. #
%%% #############################################
%%%
%%% At version 0.27, the year coverage looked
%%% like this:
%%%
%%% 1967 ( 10) 1979 ( 6) 1991 ( 82)
%%% 1968 ( 9) 1980 ( 1) 1992 ( 162)
%%% 1969 ( 7) 1981 ( 1) 1993 ( 262)
%%% 1970 ( 9) 1982 ( 0) 1994 ( 321)
%%% 1971 ( 14) 1983 ( 0) 1995 ( 321)
%%% 1972 ( 6) 1984 ( 0) 1996 ( 571)
%%% 1973 ( 3) 1985 ( 0) 1997 ( 475)
%%% 1974 ( 4) 1986 ( 0) 1998 ( 324)
%%% 1975 ( 5) 1987 ( 0) 1999 ( 351)
%%% 1976 ( 3) 1988 ( 0) 2000 ( 0)
%%% 1977 ( 3) 1989 ( 0) 2001 ( 0)
%%% 1978 ( 1) 1990 ( 102) 2002 ( 1)
%%%
%%% Article: 3054
%%%
%%% Total entries: 3054
%%%
%%% Entries are mostly from 1990--date, thanks to
%%% the addition of a heavily-edited and
%%% corrected conversion of the results of a
%%% search in the OCLC Contents1st database.
%%% Regrettably, this database does not record
%%% final page numbers of journal articles, so
%%% there are many page ranges of the form
%%% 123--?? in this bibliography. Additional
%%% entries have been provided from searches in the
%%% Compendex database, and from the journal Web
%%% site.
%%%
%%% Certainly many errors remain yet in the
%%% transcription of chemical formulae. In
%%% particular, the library markup includes many
%%% characters in the range 128..255, with
%%% uncertain meaning; they have been preserved
%%% as octal escape sequences of the form ?xyz,
%%% so that perhaps a future edit can provide
%%% suitable TeX substitutions.
%%%
%%% In this bibliography, entries are sorted
%%% first by ascending year, and within each
%%% year, alphabetically by author or editor,
%%% and then, if necessary, by the 3-letter
%%% abbreviation at the end of the BibTeX
%%% citation tag, using the bibsort -byyear
%%% utility. Year order has been chosen to make
%%% it easier to identify the most recent work.
%%%
%%% The checksum field above contains a CRC-16
%%% checksum as the first value, followed by the
%%% equivalent of the standard UNIX wc (word
%%% count) utility output of lines, words, and
%%% characters. This is produced by Robert
%%% Solovay's checksum utility.",
%%% }
%%% ====================================================================
@Preamble{"\input ijqc.sty"}
%%% ====================================================================
%%% Acknowledgement abbreviations:
@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: +1 801 585 1640, +1 801 581 4148,
e-mail: \path|beebe@math.utah.edu|,
\path|beebe@acm.org|,
\path|beebe@computer.org|,
\path|beebe@ieee.org| (Internet),
URL: \path|http://www.math.utah.edu/~beebe/|"}
%%% ====================================================================
%%% Journal abbreviations:
@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"}
%%% ====================================================================
%%% Bibliography entries:
@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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
acknowledgement = ack-nhfb,
}
@Article{Thulstrup:1969:ALE,
author = "E. W. Thulstrup",
title = "Assignment of the Lowest Electronic Transitions in
Benzene, {C6H6}",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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 = "ftp://ftp.math.utah.edu/pub/bibnet/authors/b/beebe.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",
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",
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 {H2} and The {H6} 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",
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",
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",
bibsource = "ftp://ftp.math.utah.edu/pub/bibnet/authors/b/beebe.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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
acknowledgement = ack-nhfb,
}
@Article{Popkie:1976:MCM,
author = "H. E. Popkie and J. J. Kaufman",
title = "Molecular Calculations with the {MODPOT}, {VRDO}, and
{MODPOT}/{VRDO} Procedures {I}. {HF}, {F2}, {HC}l, Cl2,
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",
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",
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",
bibsource = "ftp://ftp.math.utah.edu/pub/bibnet/authors/b/beebe.bib",
acknowledgement = ack-nhfb,
}
@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",
acknowledgement = ack-nhfb,
}
@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",
bibsource = "ftp://ftp.math.utah.edu/pub/bibnet/authors/b/beebe.bib",
acknowledgement = ack-nhfb,
}
@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",
pages = "683--705",
year = "1977",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 18:56:57 1996",
bibsource = "ftp://ftp.math.utah.edu/pub/bibnet/authors/b/beebe.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",
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",
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",
acknowledgement = ack-nhfb,
}
@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",
acknowledgement = ack-nhfb,
}
@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",
bibsource = "ftp://ftp.math.utah.edu/pub/bibnet/authors/b/beebe.bib",
acknowledgement = ack-nhfb,
}
@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",
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",
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",
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",
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",
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 = "ftp://ftp.math.utah.edu/pub/bibnet/authors/h/homeier-herbert-h-h.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 = "ftp://ftp.math.utah.edu/pub/bibnet/authors/h/homeier-herbert-h-h.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",
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",
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 = "ftp://ftp.math.utah.edu/pub/bibnet/authors/h/homeier-herbert-h-h.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",
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 = "ftp://ftp.math.utah.edu/pub/bibnet/authors/h/homeier-herbert-h-h.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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
acknowledgement = ack-nhfb,
}
@Article{Harris:1992:RAD,
author = "F. E. Harris and H. J. Monkhorst and D. L. Freeman and
P. Jorgensen",
title = "Review of Algebraic and Diagrammatic Methods in
Many-{Fermion} Theory",
journal = j-IJQC,
volume = "44",
number = "6",
pages = "1069--??",
day = "5",
month = dec,
year = "1992",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
acknowledgement = ack-nhfb,
}
@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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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 {Hartee-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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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$^{2+}_4$}, and {Si$_5$H$^-_5$}",
journal = j-IJQC,
volume = "46",
number = "1",
pages = "137--??",
year = "1993",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
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",
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",
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",
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",
acknowledgement = ack-nhfb,
}
@Article{Gantchev:1993:SEM,
author = "T. G. Gantchev and F. Beaudry and J. E. Van Lier 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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
acknowledgement = ack-nhfb,
}
@Article{Klauder:1993:QFT,
author = "J. R. Klauder",
title = "Quantum Fiedl 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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
acknowledgement = ack-nhfb,
}
@Article{Re: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",
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",
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",
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",
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 {${\rm NeH}^+$} 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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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$4}",
journal = j-IJQC,
volume = "50",
number = "3",
pages = "173--??",
day = "15",
month = apr,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
acknowledgement = ack-nhfb,
}
@Article{Shcheka:1994:QCS,
author = "O. L. Shcheka and N. V. Dobrodey and T. B. Emelina",
title = "Quantum Chemical Study of Catalysts Based on Oxides of
Transition Metals",
journal = j-IJQC,
volume = "50",
number = "3",
pages = "181--??",
day = "15",
month = apr,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
acknowledgement = ack-nhfb,
}
@Article{Rincon:1994:AMP,
author = "L. Rincon",
title = "Aromaticity in Metallacyclobutadienes from the
Perspective of the Valence Bond Theory",
journal = j-IJQC,
volume = "50",
number = "3",
pages = "189--??",
day = "15",
month = apr,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
acknowledgement = ack-nhfb,
}
@Article{Wang:1994:OBE,
author = "X.-Y. Wang",
title = "Orbital Binding Effect in Molecular Orbital Theory",
journal = j-IJQC,
volume = "50",
number = "3",
pages = "197--??",
day = "15",
month = apr,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
acknowledgement = ack-nhfb,
}
@Article{Gould:1994:QSP,
author = "M. D. Gould and J. Paldus and J. Cizek",
title = "Quasi-Spin and the Pseudo-Orthogonal Group in the
{Hubbard} Model",
journal = j-IJQC,
volume = "50",
number = "3",
pages = "207--??",
day = "15",
month = apr,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
acknowledgement = ack-nhfb,
}
@Article{Ming:1994:BSD,
author = "L. Ming",
title = "Band Structures of {${\rm A}_1$} Doped Superconductors
{${\rm YBa}_2{\rm Cu}_{3-x}{\rm Al}_x{\rm
O}_{7+\delta}$}",
journal = j-IJQC,
volume = "50",
number = "4",
pages = "233--??",
day = "5",
month = may,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
acknowledgement = ack-nhfb,
}
@Article{Duch:1994:MSC,
author = "W. Duch and J. Meller",
title = "On Multireference Superdirect Configuration
Interaction in Third Order",
journal = j-IJQC,
volume = "50",
number = "4",
pages = "243--??",
day = "5",
month = may,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
acknowledgement = ack-nhfb,
}
@Article{Politzer:1994:ACS,
author = "P. Politzer and J. S. Murray and J. M. Seminario",
title = "Antiaromaticity to {1,3,5,7-Cyclooctatetraene}
Structures",
journal = j-IJQC,
volume = "50",
number = "4",
pages = "273--??",
day = "5",
month = may,
year = "1994",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Wed Jan 3 14:24:13 MST 1996",
acknowledgement = ack-nhfb,
}
@Article{Minaev:1994:CII,
author = "B. F. Minaev and S. Lunell and G. I. Kobzev",
title = "Collision-Induced Intensity of the
{b$^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",
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",
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",
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",
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}. {H4} 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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
acknowledgement = ack-nhfb,
}
@Article{Doren: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",
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}
@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",
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}
@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",
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}
@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",
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",
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}
@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",
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}
@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",
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}
@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",
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",
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}
@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",
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}
@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",
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",
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",
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",
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",
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",
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}
@Article{Alemany:1994:CSS,
author = "P. Alemany and J. J. Novoa and L. Bengtsson",
title = "A Comparative Study on the Structure of {M2Se} and
{M2I0}+ ({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",
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",
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}
@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",
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",
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",
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",
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",
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",
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",
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",
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 {SiO2} 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",
acknowledgement = ack-nhfb,
}
@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",
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",
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",
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",
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",
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 {(H2O)2} {HF} and {H2O} {(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",
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 -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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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 {C70}",
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",
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",
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",
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",
acknowledgement = ack-nhfb,
}
@Article{Leeuwen: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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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
{[Fe6(3S)8(PEt3)6](BPh4)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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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--??",
year = "1995",
CODEN = "IJQCB2",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
bibdate = "Mon Jan 4 07:52:47 MST 1999",
bibsource = "Compendex database",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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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",
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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",
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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",
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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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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 {NaCl2}",
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",
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 {Li2} 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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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 {$({\rm M}({\rm
CN})_5)^{3-}$} ({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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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",
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
{H8} and {DZP} {H4} 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",
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: {XeF2}",
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",
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",
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",
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",
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{}
{H2} {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",
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",
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",
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 {Li2}",
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",
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",
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 $e^- + {N_2}$ 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",
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",
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",
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",
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 {${\rm
AH}_2 + {\rm AH}_2^{+(-)}$} ({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",
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",
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",
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",
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",
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",
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",
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
{Be93}, {Be105}, {Be111}, and {Be123} 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",
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",
acknowle