Contents
Russian Journal of Physical Chemistry

Vol. 74, No. 1, 2000

Simultaneous English language translation of the journal is available from MAIK “Nauka / Interperiodica” (Russia). Russian
Journal of Physical Chemistry ISSN 0036-0244.

Proceedings of the 1st all-Russian Conference on Quantum
and Computational Chemistry
Held in the Memory of V.A. Fock

Foreword

O. M. Nefedov p. 2

General Problems of Quantum and Computational Chemistry

Studies of V.A. Fock on the Theory of Many-electron Systems

A. V. Tulub p. 4  abstract

A New Dialog with Nature: A Law of Evolution of Natural Systems,
Time Arrow, and Copenhagen Interpretation of Quantum Mechanics

S. F. Timashev p. 11  abstract

Local Characteristics of the Electronic Structure of Molecular Systems Predicted
by the Unrestricted Hartree–Fock Method

V. A. Veryazov, A. V. Leko, A. I. Panin, and R. A. Evarestov p. 24  abstract

Evolution of One-Dimensional Quantum Systems: Technique for Separation

T. Yu. Mikhailova and V. I. Pupyshev p. 30  abstract

Chemical Fragmentation in a Quantum Mechanical Treatment of Extended Covalent Systems

G. N�ray-Szab� p. 34  abstract

Functional Integration and Method of Factorization in Classical Statistical Mechanics

A. Yu. Zakharov p. 40  abstract

An Analysis of Diffusion Kinetics with Volume Effects in Terms of Chemical Potentials

M. A. Zakharov p. 46  abstract

Models and Methods of Quantum Chemistry

Wall Effects on the State of a Hydrogen Atom in a Cavity

V. I. Pupyshev p. 50  abstract

Method for Calculating Crystal Field Potential in Ionic Compounds

I. S. Nikiforov and D. A. Filippov p. 55  abstract

A Method for Calculating the Electronic States of Transition Metal Complexes
Containing Chemically Active Ligands

A. M. Tokmachev and A. L. Chugreev p. 58  abstract

Hydrated Electron: Nonempirical Modeling

Yu. V. Novakovskaya and N. F. Stepanov p. 63  abstract

Quasiclassical Description of a Two-Dimensional Hydrogen Atom in a Uniform Magnetic Field

A. A. Gusev, V. V. Krasil’nikov, and N. A. Chekanov p. 71  abstract

Quantum Chemistry of Inorganic Compounds

Excited Electronic States of OsO4 and Irframe0

A. I. Dement’ev, A. V. Zaitsevskii, and Yu. M. Kiselev p. 75  abstract

Calculation of d–d Spectra of Transition Metal Oxides by the Method
of Effective Crystal Field in the Cluster Approximation

M. G. Razumov and A. L. Chugreev p. 78  abstract

Isomerism and Vibrational Spectra of Alkali Metal Tungstate Molecules

V. G. Solomonik and A. V. Marenich p. 84  abstract

The Internal Rotation Potential Function of Monochloroacetaldehyde
in the Ground Electronic State: A Quantum-Chemical Calculation

V. A. Bataev and I. A. Godunov p. 93  abstract

Fast Synchronous Exchange of Fluorine Atoms in the (XF3)2 (X = Cl, Br, or I)
and (FH)2���ClF3 Interhalogen Donor–Acceptor Complexes

R. M. Minyaev p. 100  abstract

Quantum Chemistry of Organic Compounds

Electronic Excitation in Monomolecular Reactions: the Triplet Mechanism
of Pyran Ring Opening and Closure

K. K. Kalnin’sh p. 107  abstract

Fractal Hybrid Orbitals in Biopolymer Chains

F. Torrens p. 115  abstract

Quantum Chemistry of Surface Phenomena and Solvation

Nonempirical Modeling of Interactions between Water Molecules and Zeolite Lattice Defects

T. M. Domracheva, Yu. V. Novakovskaya, and N. F. Stepanov p. 121  abstract

Modeling of the Influence of Solvation on the Vibrational Spectra of High-Symmetry Molecular Ions

A. V. Shabatina and A. Yu. Ermilov p. 127  abstract

A Study of the Effect of the Solvent on the Structure of Nitroxyl Radicals
by the Unrestricted Hartree–Fock Method

V. V. Zverev and Ya. A. Levin p. 133  abstract

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