Theory of molecular structure and chemical bonding

Karpushin A.A., Sorokin A.N. Asymptotic boundary conditions in claster simulation of electron structure of unbounded and semi-infinite crystal. 1. Unbounded crystal

3

Baklanov M.R., Karpushin A.A., Mogilnikov K.P., Sorokin A.N. The role of negative charged (Si₃—Si—F₂)^- complexis in the interaction of fluorine with the (111) surface of silicon

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Pinchuk V.M., Nazarov A.N., Lysenko V.S., Kovalev V.M. Research of influence of a atomic hydrogen on interaction of silicium and phosphorus atoms with vacancies in a silicium crystal lattice

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Goncharova N.V., Nikitina E.A., Khavryutchenko V.D., Sheka E.F. Computational chemistry of silicon nitride surface. 2. Hydroxil-amine binary complexes. Geometry and coupling energy

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Medvedeva N.I., Zhukov V.P., Novikov D.L., Gubanov V.A. The electronic structure and chemical bonding in Bi₂O₃

48

Goryainov S.V. Change of dioptase Cu₆Si₆O₁₈ · 6H₂O vibrational state at dehydratio

59

Veselkov A.N., Djimant L.N., Bolotin P.A., Baranovsky S.F., Shipp D., Davies D.B. Investigation of the interaction of ethidium bromide with self-complementary deoxytetranucleoitide 5'-d(CpGpCpG) in aqueous solution by the method of 'H NMR spectroscopy

75

Structure of liquids and solutions

Malenkov G.G., Frank-Kamenetskii M.M. Structure of Ca hydration shell and of the Ca — water — zeolite system according to computer simulation data

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Kirov M.V. Conformational combinatorics of polyhedral water clusters

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Kirov M.V. Matrix method of conformational optimization. Application to cyclic and polyhedral water clusters

107

Crystal chemistry

Blatov V.A., Karpeev S.S., Serezhkin V.N. Topological features of sublattices of metal atoms in structure of inorganic compounds

116

Kosyakov V.I. Topology of polyhedral clathrate frameworks. 2. Frameworks from polyhedral storeys

123

Podberezskaya N.V., Romanenko G.V., Tychinskaya I.I. Display of the law of the three— layer closest packing in the crystal structure of tris(ethylenediamine)cobalt(III) hexanitrorhodiate(III) hydrate, [Co(en)₃] [Rh(NO₂)₆] · 3H₂O, en-C₂H₈N₂

131

Rewiews

Galashev A.E. Vitrification and structural differences of metal glass quasicrystal and Frank — Kasper's phases

138

Brief communications

Galanov E.K.. Medvedev V.G. Optical activity of cholesteric liquid crystal composition in vibration region of overtones and combinative tones

159

Vasiljeva L.L., Dultsev F.N., Milekhin A.H. IR spectroscopic study of SO₂ adsorption on polysiloxane layers containing tertiary amino groups

164

Narziev B.N., Mulloev N. The amphoteric propeties of the >N—H — group of pyrrole analog's compounds

167

Drebushchak V.A., Dementiev S.N. Fine structure of thermoanalytical peak of the phase transition in quartz

171

Kirov M.V. Formation of a polyhedral clusters from cycles. Topological restrictions

173

Glinskaya L.A., Zemskova S.M., Klevtsova R.F., Larionov S.V. Bis(diethyldithiocarbamato) (imidazole) zinc clathrate with benzene. Crystal and molecular structure of [(C₂H₅)₂NCS₂]₂Zn(C₃N₂H₄) · l/2C₆H₆

176

Abashev G.G., Rozhdestvenskaya I.V., Bannova I.I., Russkikh V.S. Crystal structure of salt of tetracyanoquinodimethane with twochardge asimmetric catione of β-(N-phyridyl)ethylthiouronium, containing, thiouronium and phyridynium centres. C₈H₁₃N₃ x C₁₂H₄N₄ x I_1,5

182

Varnek V.A., Lavrenova L.G., Shipachov V.A. Establishment of relation between the temperature of ¹А₁ ↔ ⁵Т₂ spin transition and the crystal field parametre 10 Dq in Fe(II) camplexes with 1,2,4-triasoles

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