C O N T E N T S

Materials of the XIII seminar on intermolecular interactions and conformations of moleculas

Zorky P.M., Obodovskaya A.E., Kolyshev A.N. New data on hypersymmetry and
pseudosymmetry of organic crystals .....................................................................369

Filippova I.V., Kotelnikova E.N., Chazhengina S.Yu., Filatov S.K. Types of rotarycrystal
state of paraffine solid solutions ...............................................................380

Shabatina T.I., Vovk E.V., Andreev G.N., Bogomolov A.Yu., Sergeev G.B.
IR spectroscopic study of mesogenic cyanophenyls molecular associates ..............395

Shkrabo D.M., Krasjukov Yu.N., Mukhtarov E.I., Zhizhin G.N. Simulation and
interpretation of some heterofullerenes vibrational spectra ..................................401

Novikov P.B., Naumov D.Yu., Boldyreva E.V., Podberezskaya N.V. Crystal structure of
[Co(NH3)5NO2]C2O4: Can an analysis of specific contacts help to understand why
solid-state nitro-nitrito photoizomerization does not take place?...........................412

Boldyreva E.V., Kuzmina S.L., Ahsbahs H. Lattice distortion of [Co(NH3)5ONO]X2,
X=Cl–, Br–, induced by hydrostatic pressure .......................................................424

Boldyreva E.V., Naumov D.Yu., Ahsbahs H. The role of specific interactions in the
anisotropy of structural distortion of crystals of [Co(NH3)5NO2]Cl2 induced by
high pressures up to 4,0 GPa ..............................................................................433

Isupov V.P., Gabuda S.P., Kozlova S.G., Chupakhina L.E. The structural mechanism of
the lithium selective binding on a solid Al(OH)3 in water solutions .....................448

Isupov V.P., Chupakhina L.E., Mitrofanova R.P., Tarasov K.A. The use of
intercalation compounds of aluminium hydroxide for the preparation of nanoscale
systems ..............................................................................................................453

Nemukhin A.V., Togonodze V.V., Kovba V.M., Orlov R.Yu. Ab initio estimates of
solvation shifts in vibrational spectra of gold thiocomplexes ...............................460

Akopova O.B., Bronnikova A.A., Kruvchinski A., Kotovich L.N., Shabyshev L.S.,
Valkova L.A. Polysubstituted triphenilenes with active groups. Molecular
parameters, synthesis, structure and mesomorphism ............................................464

Akopova O.B., Bronnikova A.A. Prediction of discotic mesomorphism by molecular
parameters. Novel series of discogenic molecular structures ................................473

Stolov A.A., Vinocurova E.A., Kamalova D.I., Kozireva J.S., Petrova S.A.,
Remisov A.B. Hydrogen bonds with participation of the CH-groups of 1,1,2,2-
tetrabromethane and ther influence on the conformational equilibrium.................478

Malysheva Yu.A., Papulov Yu.G., Vinogradova M.G., Botov A.B., Smolyakov V.M.
The properties and structure of organic molecules. 1. The threedimensional
topological indexes of alkanes ..................................................484

Malysheva Yu.A., Papulov Yu.G., Vinogradova M.G., Davidova I.G. The properties
and structure of organic molecules. 2. Graph-theoretical study of alkenes and
alcohols ..............................................................................................................493

Markov V.M., Potyomkin V.A., Belik A.V. The algorithm for quantitative evaluation of
dissymmetry of molecules ...................................................................................500

Yakovlev N.N., Michailov M.N., Godunov I.A. S1S0-vibronic spectrum and structure of
chloral in S1-state ...............................................................................................507

Bataev V.A., Pupyshev V.I., Godunov I.A. Ab initio calculation of fluoral ground state
torsion vibrations ................................................................................................514

Babkov L.M., Vedyaeva E.S., Puchkovskaya G.A., Yakubov A.A. Investigation of
conformational mobility of fluorinated alkylbenzoic acids by vibrational infrared
spectroscopy methods ..........................................................................................522

Golovanov I.B., Tsygankova I.G. Topological structures of peptides with 4 Cysteines .....529

Pedash Yu.F., Semenov A.Yu. Comparison of the variational and bound perturbation
theories in molecular complexes dipole polarizabilities calculations.....................535

Kuzmin V.E., Artemenko A.G. An analysis of molecular chirality in frame of lattice
model of spatial structure ...................................................................................541

Alihanidi S.E., Kuzmin V.E. The quantitative estimation of molecular asymmetry ..........547

Kuzmin V.E., Chelombitko V.A., Judanova I.V., Stelmakh I.B., Rublev I.S.
Stereochemical possibilities of simplex pepresentation of molecules.
Stereoanalysis of chiral structures .......................................................................553