Theory of molecular structure and chemical bonding

Zilberberg I.L., Milov M.A., Zhidomirov G.M. Scaling Coulomb interaction in calculation
on electron spectra of transition metal complexes . . . . . . . . . . . . . . . . . . . . . . . 3

Meleshko V.P., Morokov Y.N., Schweigert V.A. Structure of hydrogenated silicon
clusters. Small clusters . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 13

Meleshko V.P. Stability of silicon fullerenes Sin and SinHn . . . . . . . . . . . . . . . . . . . . . . . . 21

Burenin A.V. A qualitative treatment of nonrigid motiions in HOOH molecules . . . . . . . 29

Study of the structure of molecules by physical methods

Ovcharenko I.V., Shvedenkov Y.G., Musin R.N., Ikorskii V.N. Determination of
exchange interaction parameters in heterospin exchange clusters . . . . . . . . . . . . . . . 36

Moroz N.K., Naumov N.G., Fedorov V.E. The system hydrogen bonds in
Ba2Re6Te8(CN)6  12H2O: modelling and NMR study . . . . . . . . . . . . . . . . . . . . . . . . . 44

Gordeev A.D., Osipenko A.N., Soifer G.B. Structural and dynamical features of molecules
of crystalline CCl3C(O)OC6H2Cl3-2,4,6 as studied by 35Cl NQR . . . . . . . . . . . 52

Crystal chemistry

Virovets A.V., Sokolov M.N., Kalinina I.V., Podberezskaya N.V., Fedorov V.E. Specific
non-bonding interactions in the (N2H5)2[Mo3S7I6]1,5H2O structure . . . . . . . . . 57

Virovets A.V., Konchenko S.N., Podberezskaya N.V. Crystal structure of (Et4N)[(-
H)Fe3(3-Se)(CO)9] . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 62

Klevtsova R.F., Glinskaya L.A., Zemskova S.M., Larionov S.V. Crystal and molecular
structure of volatile mixed-ligand Zn(S2CN(i-C4H9)2)2 Phen complex . . . . . . . . 70

Klevtsova R.F., Glinskaya L.A., Zemskova S.M., Larionov S.V. Crystal and molecular
structure of mixed-ligand Zn(S2CN(CH3)2)2 Phen complex . . . . . . . . . . . . . . . . . 77

Simonov Yu.A., Bourosh P.N., Bologa O.A., Mazus M.D., Gerbeleu N.V. Crystal and
molecular structure of the triphenylphosphinebis(1,2-cyclohexandiondioxim)cobalt(
III)chloride . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85

Chekhlov A.N. Crystal and molecular structure of a complex of 1,10-diaza-18-crown-6
with potassium salt of N-(diisopropoxyphosphoryl)benzamide . . . . . . . . . . . . . . . . . 93

Problems of methodology

Naumov D.Yu., Boldyreva E.V. Software for the localization and visualization of cavities
in crystal structures and in supramolecular assemblies . . . . . . . . . . . . . . . . . . . . 102

Zayets V.A., Gerda V.I., Gorlov Yu.I., Klymenko V.E. Quantum chemical calculations
of molecules in NDDO approximation. Comparison of modified version and
AM1 model . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111

Zenkevich I.G. Precalculation of GC retention indices of organic compounds from the
boilihg points of their structural analogues . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121

Reviews

Avramov P.V., Ovchinnikov S.G. Effects of strong electron correlations in X-ray and
photoelectron spectra of high-temperature superconductors . . . . . . . . . . . . . . . . . . . . 131

Brief communications

Shchegoleva L.N., Karpov V.M., Platonov V.E. Structure of potential energy surface
of the fluorocyclopentadienyl cation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 184

Pervukhina N.V., Romanenko G.V., Magarill S.A., Vasilev V.I., Borisov S.V. Crystal
structure of poyarkovite — Hg3OCl . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 187

Romanenko G.V., Saveleva Z.A., Podberezskay N.V., Larionov S.V. Crystal structure
of tris(semicarbazide)nickel(II) nitrate [Ni(NH2NHC(O)NH2)3](NO3)2 . . . . . . . 191

Chernega A.N., Koidan G.N., Marchenko A.P. Molecular and crystal structure of
bis(trichloromethyl)chlorophosphine . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 195

Derendyaev B.G., Piottukh-Peletsky V.N. Experimental evidence of chemical structure
similarity as a function of spectral similarity measure for results of IR data
base search . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 198

Ruban I.N., Toropov A.A., Oxengendler B.L. The fractal dimensionality of molecular
models, which have been obtained by method of ideal symmetry as structural descriptor
for QSPR-investigations . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 200

Toropov A.A., Toropova A.P., Voropaeva N.L., Ruban I.N., Rashidova S.Sh. Using
of matrix of maximal topological distances for QSPR-modeling of normal boiling
points of hydrocarbons which contents cycles . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 202