Content:
Editorial Board
Page ii

Edited by
Page iii

Copyright page
Page iv

Contributors
Pages xii-xiv

Preface
Pages xv-xvi
Jacek Karwowski, John R. Sabin

Conference Participants
Pages xvii-xviii

Introductory Remarks
Page xix
Geerd H.F. Diercksen

Diatomic Molecules: Exact Solutions of HF Equations Original Research Article
Pages 1-14
Jacek Kobus

Perturbation Theory for Low-Spin Open-Shell States Original Research Article
Pages 15-32
Xiangzhu Li, Josef Paldus

The Contracted Schrödinger Equation: Some Results Original Research Article
Pages 33-46
C. Valdemoro, L.M. Tel, E. Pérez-Romero

Distributed Gaussian Basis Sets: Some Recent Results and Prospects Original Research Article
Pages 47-63
S. Wilson, D. Moncrieff

The Nuclear Motion Problem in Molecular Physics Original Research Article
Pages 65-80
B.T. Sutcliffe

Combining Quantum Chemistry and Molecular Simulation Original Research Article
Pages 81-87
Florian Müller-Plathe

Solvent Effects from a Sequential Monte Carlo - Quantum Mechanical Approach Original Research Article
Pages 89-105
Kaline Coutinho, Sylvio Canuto

Energy Deposition of Swift Alphas in Neon: An Electron Nuclear Dynamics Study Original Research Article
Pages 107-118
John R. Sabin

Theoretical Modeling of Spectra and Collisional Processes of Weakly Interacting Complexes Original Research Article
Pages 119-140
Robert Moszynski, Tino G.A. Heijmen, Paul E.S. Wormer, Ad van der Avoird

Quantum Chemical Treatment of Molecules in Condensed Disordered Media Original Research Article
Pages 141-157
Mati Karelson

Determining the Shapes of Molecular Electronic Bands from their Intensity Distribution Moments Original Research Article
Pages 159-169
Dorota Bielińska-WażR, Jacek Karwowski

Convergence of Symmetry-Adapted Perturbation Theory for the Interaction between Helium Atoms and between a Hydrogen Molecule and a Helium Atom Original Research Article
Pages 171-188
Tatiana Korona, Robert Moszynski, Bogumil Jeziorski

Electron Affinity of SF₆ Original Research Article
Pages 189-203
M. Klobukowski, G.H.F. Diercksen, J.M. García de la Vega

The Oxonium Rydberg Radical: Electronic Transitions Original Research Article
Pages 205-218
C. Lavín, I. Martin

An ab initio study of four-membered rings. Boranes HBXYBH; (X, Y = C, N, O) Original Research Article
Pages 219-234
Borislava Batandjieva, Ingrid Miadoková, Ivan Cernuŝák

SiN₂ and SiN₄ Molecules: An ab Initio Study of Molecular and Electronic Structure, Stability, and IR Activity Original Research Article
Pages 235-245
Rudolf Janoschek

A Sternheimer-like response property of the bromine molecule: electric field dependence of the Br field gradient Original Research Article
Pages 247-256
P.W. Fowler, S.A. Peebles, A.C. Legon

Molecular Properties of Boron-Coinage Metal Dimers: BCu, BAg, BAu Original Research Article
Pages 257-272
Maria Barysz, Miroslav Urban

Decades of Theoretical Work on Protonated Hydrates Original Research Article
Pages 273-291
E. Kochanski, R. Kelterbaum, S. Klein, M.M. Rohmer, A. Rahmouni

Density Functional Theory: A Useful Tool for the Study of Free Radicals Original Research Article
Pages 293-309
Oscar N. Ventura, Martina Kieninger, Kenneth Irving

Guesses — Hunches — Formulae — Discoveries Original Research Article
Pages 311-318
B.G. Wybourne

Applying Artificial Intelligence in Physical Chemistry Original Research Article
Pages 319-328
F.J. Smith, M. Sullivan, J. Collis, S. Loughlin

Artificial Intelligence Support for Computational Chemistry Original Research Article
Pages 329-343
Wlodzislaw Duch

Abstract Data Types In The Construction Of Knowledge-Based Quantum Chemistry Software Original Research Article
Pages 345-359
P.L. Kilpatrick, N.S. Scott

Index
Pages 361-370