Contents
Russian Journal of Physical Chemistry

Vol. 74, Suppl. 2, 2000

The supplement is published only in English by MAIK “Nauka / Interperiodica” (Russia).
Russian Journal of Physical Chemistry ISSN 0036-0244.

Improved Diatomics-in-Molecule Perturbation Theory
for the Ground-State Potential Energy Surface of ArI₂

A. A. Buchachenko, O. Roncero, and N. F. Stepanov p. 193  abstract

Semiempirical Implementation of the APSLG Approach

A. M. Tokmachev, A. L. Chugreev, and I. A. Misurkin p. 205  abstract

Ionic Water Species: Nonempirical Model

Yu. V. Novakovskaya and N. F. Stepanov p. 216  abstract

Structures of the Medium-Size Hydrogen Fluoride Clusters

A. A. Moskovsky, B. L. Grigorenko, A. A. Granovsky, and A. V. Nemukhin p. 228  abstract

Regularities in Molecular Geometries, Force Fields, and Vibrational Spectra
of the Titanium Subgroup Tetrahalides MX₄ (M = Ti, Zr, Hf; X = F, Cl, Br, I):
A Nonempirical CISD + Q Study

V. G. Solomonik, E. I. Izgorodina, and T. P. Pogrebnaya p. 237  abstract

Juxtaposition of Programs for the Determination of Scale Factors
for Molecular Quantum Mechanical Force Fields

Yu. N. Panchenko, G. R. De Maré, and N. F. Stepanov p. 245  abstract

Electronic Structure of Negative Oxygen Ion in a MgO Crystal

I. V. Abarenkov and I. M. Antonova p. 253  abstract

The Nontriviality of the Hellmann–Feynman Theorem

V. I. Pupyshev p. 267  abstract

Quantum-Mechanical Calculations of the Structure and Dynamics
of Conformationally Nonrigid Carbonyl Compound Molecules
in the Ground and Excited Electronic States

V. A. Bataev, V. I. Pupyshev, A. V. Abramenkov, and I. A. Godunov p. 279  abstract

The Unusual Electronic Structure of the Radical Cation
of the Propellane Hydrocarbon Tetracyclo[3.3.1.1^3,7.0^1,3] Decane

I. Yu. Shchapin, S. I. Belopushkin, D. A. Tyurin, B. I. No, G. M. Butov, and V. M. Mokhov p. 292  abstract

A Semiempirical Quantum-Chemical Method of Calculation:
from Physical Adsorption to Catalytic Transformations

I. K. Vorontsova and I. A. Abronin p. 303  abstract

A Microscopic Approach to Analysis of Rotational Dynamics
of Molecules: Symmetrical Triatomic Hydrides

S. V. Petrov and S. E. Lokshtanov p. 317  abstract

Determination of the Size and Energy of Atoms within the Framework
of a Multicomponent Electron Gas Model

A. M. Dolgonosov p. 324  abstract

On the Theory of Diffusive Rearrangement of Multicomponent Solid Solutions

M. A. Zakharov p. 335  abstract

A Variational Method for Quantum Kinetic Equations

A. Yu. Zakharov p. 342  abstract

A Quantum-Chemical Study of Diphenylamine Photocyclization

M. F. Budyka and T. S. Zyubina p. 347  abstract

Nonvalent Interactions of Atoms and Properties of Substituted Cyclopropanes

M. G. Vinogradova, R. Yu. Papulov, Yu. G. Papulov, and Yu. A. Korshunova p. 353  abstract

A Generalized van der Waals Model of Nematic Mixtures of Molecules Interacting
according to the Rectangular Well Potential

E. P. Sokolova, N. A. Smirnova, and I. K. Tokhadze p. 357  abstract

Specific Features of the Calculation of the Density Matrix of Crystals
in the Hartree–Fock Nonlocal Exchange Method

R. A. Evarestov and I. I. Tupitsyn p. 363  abstract

The Generalized Relativistic Effective Core Potential Method: Theory and Calculations

A. V. Titov and N. S. Mosyagin p. 376  abstract

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