Construction of empirical MT-potentials of molecules: Role of the Watson sphere Yu. F. MigalO. M. Kholodova OriginalPaper Pages: 1 - 5
Relaxation of STO-3G and 6-31G* basis set functions in the series of LiF isoelectronic molecules of second row elements A. I. ErmakovV. V. Belousov OriginalPaper Pages: 6 - 15
Simple model for the description of anharmonic vibrations of polyatomic molecules L. A. GribovV. A. Dementiev OriginalPaper Pages: 16 - 20
Calculation of spectroscopic constants for the ground electronic states of CsK, CsLi, and RbLi molecules A. D. Smirnov OriginalPaper Pages: 21 - 27
Features of the electronic structure of ruthenium tetracarboxylates with axially coordinated nitric oxide (II) O. V. SizovaL. V. SkripnikovO. O. Lyubimova OriginalPaper Open access Pages: 28 - 36
Quantum chemical study of the effect of N,N-acyl group nature on the structure and Gibbs free energy of the sulfur ketoylides and products of their transformations D. A. ChuvashovI. V. VakulinF. Z. Galin OriginalPaper Pages: 37 - 45
Electronic effects of conjugated enones on their reactivity in transformations of ADDN type É. R. LatypovaR. Ya. KharisovG. Yu. Ishmuratov OriginalPaper Pages: 46 - 50
Structure of ScBr3 and Sc2Br6 molecules determined by the synchronous gas-phase electron diffraction and mass spectrometric experiment and quantum chemical calculations S. A. ShlykovA. V. ZakharovG. V. Girichev OriginalPaper Pages: 51 - 60
Raman spectra of olivine solid solutions (FexMg1−x )2SiO4 and spin-vibration interaction S. V. GaislerB. A. Kolesov OriginalPaper Pages: 61 - 65
Electron energy structure and X-ray spectra of wide-band GaN, AlN, and AlN-GaN semiconductors V. V. IlyasovT. P. ZhdanovaI. Ya. Nikiforov OriginalPaper Pages: 66 - 73
Second order of perturbation theory correction to the radial distribution function of a liquid with the interaction potential of hard spheres plus a square-well Yu. T. Pavlyukhin OriginalPaper Pages: 74 - 80
Antisymmetry and stability of water systems. I. Planar cyclic clusters M. V. Kirov OriginalPaper Pages: 81 - 87
Antisymmetry and stability of water systems. II. Polyhedral clusters M. V. Kirov OriginalPaper Pages: 88 - 93
Structural thermodynamic parameters and intermolecular interactions in aqueous solutions of secondary amides A. M. Zaichikov OriginalPaper Pages: 94 - 103
Visible and ultra-violet absorption spectra of aqueous solutions of transition metal salts affected by a high-voltage pulse electric discharge M. M. GafurovM. B. AtaevS. V. Larin OriginalPaper Pages: 104 - 107
Synthesis, properties, and structure of dimethylgold(III) complexes [(CH3)2AuI]2 and (CH3)2AuS2CN(C2H5)2 G. I. ZharkovaI. A. BaidinaI. K. Igumenov OriginalPaper Pages: 108 - 113
Synthesis, structure, and properties of [RuNO(NH3)4OH][PtCl4] and [RuNO(NH3)4OH][PdCl4] O. A. PlyusninaV. A. Emel’yanovS. A. Gromilov OriginalPaper Pages: 114 - 121
Synthesis and crystal structure of copper(II) bis-chelate comprising a nitrile derivative of 3-imidazoline nitroxide A. B. BurdukovN. V. PervukhinaV. A. Reznikov OriginalPaper Pages: 122 - 127
X-ray diffraction investigation of siloxanes. III. Structure and configuration of cyclic tetra-and pentasiloxanes bearing different organic substituents at silicon atoms S. T. MalinovskiiA. Tesuro VallinaH. Stoeckli-Evans OriginalPaper Pages: 128 - 136
Isomorphous crystal structures of 4,7,13,16,21,24-hexaoxo-1,10-diaziniabicyclo[8.8.8]·hexacosane bis(tribromide) and bis(bromoiodide) A. N. Chekhlov OriginalPaper Pages: 137 - 143
Investigation of the formation process of nanosized particles of Ru(III) S. Yu. TroitskiiM. A. FedotovV. A. Likholobov OriginalPaper Pages: 144 - 149
Examination of stabilty of molecular agglomerates in molecular crystals A. V. MaleevB. B. SedovV. G. Rau OriginalPaper Pages: 150 - 154
Modeling of drug molecule orientation within a receptor cavity in the BiS algorithm framework V. A. PotemkinM. A. GrishinaE. V. Bartashevich OriginalPaper Open access Pages: 155 - 160
Separation of variables and search algorithm for internal rotation coordinates and kinematic coefficients in the theory of nuclear motions in polyatomic molecules L. A. GribovI. V. Mikhailov Brief Communications Pages: 161 - 165
Quantum chemical calculation of cation interaction with water molecules and ethylene glycol A. G. RozhkovaE. V. ButyrskayaV. A. Shaposhnik OriginalPaper Pages: 166 - 169
Structure and ion selectivity of the open potential-dependent potassium channel A. V. DmitrievI. V. MarkovV. A. Tverdislov OriginalPaper Pages: 170 - 172
Role of relativistic effects in the electronic structure and chemical bond of lead hexacyanoferrate M. V. RyzhkovT. A. Denisova OriginalPaper Pages: 173 - 176
Crystal and molecular structures of the potassium salt of 2-methoxy-4-dimethylamino-6-dinitromethyl-1,3,5-triazine V. V. BakharevA. A. GidaspovI. A. Litvinov OriginalPaper Pages: 177 - 180
Molecular structure of a zwitter-ionic 2-piperidinyl-4-dinitromethyl-1,3,5-triazin×(1H, 5H)-6-one salt V. V. BakharevA. A. GidaspovE. A. Kosareva OriginalPaper Pages: 181 - 185
On the symmetry of iron(III) tris-acetylacetonate crystals P. A. StabnikovN. V. PervukhinaS. V. Borisov OriginalPaper Pages: 186 - 192
Crystal and molecular structure of two new Schiff bases: Paeonol-ethylenediamine and paeonol-1,3-propylenediamine T.-T. XuX.-Y. XuX. Wang OriginalPaper Pages: 193 - 197
Crystal structure of olanzapinium benzoate (1:1) B. SridharK. Ravikumar OriginalPaper Pages: 198 - 202
