Electronic structure of copper oxides, valence state of copper and oxygen, and spin-spin coupling in YBa2Cu3O7-δ and YBa2Cu3O6 V. I. BaranovskiiO. V. Sizova OriginalPaper Pages: 1 - 7
Modeling of electronic structure of complexes with molecular oxygen, based on semiempirical multiconfiguration self-consistent field method O. V. SizovaV. I. BaranovskiiN. V. Ivanova OriginalPaper Pages: 7 - 14
Electronic structure of clusters of 3d elements in layered oxide systems S. P. FreidmanO. A. EvdokimovV. A. Gubanov OriginalPaper Pages: 14 - 18
Electronic structure of lanthanides in orthoborates with various structures M. V. RyzhkovV. P. DotsenkoV. A. Gubanov OriginalPaper Pages: 19 - 25
Investigation of dependence of MO LCAO on properties of orbitals of combined fragments, in the example of monosubstituted derivatives of benzene K. V. KonstantinavichyusV. M. Lazauskas OriginalPaper Pages: 26 - 35
Semicalassical vibronic model for the Creutz-Taube ion S. A. BorshchI. N. Kotov OriginalPaper Pages: 35 - 39
Structural instability of a crystal consisting of paramagnetic complexes with single-ion type spin-lattice coupling. the half-integral spin case S=3/2 V. N. Kitaev OriginalPaper Pages: 40 - 44
Structure-parameter and force-field refinement for lead dihalide molecules V. I. Bazhanov OriginalPaper Pages: 44 - 48
Structural and thermodynamic aspects of electron diffraction by lithium fluoride dimers S. B. LapshinaG. V. Girichev OriginalPaper Pages: 48 - 54
Calculation of the spectral distribution of the absorption coefficient of phenylacetonitriles A. T. TodorovskiiS. Ya. Plotkin OriginalPaper Pages: 55 - 58
Question of the reverse polarization of triple bonds A. G. ProidakovS. V. ZinchenkoG. A. Kalabin OriginalPaper Pages: 59 - 64
Influence of the cooperative effect on the geometry of an H3O+ soliton and activation barrier to proton transfer in an ice crystal A. N. IsaevA. A. Levin OriginalPaper Pages: 64 - 70
Formation of bifurcate hydrogen bonds in complexes of di-ortho-substituted phenols in solution S. F. BureikoN. S. GolubevJ. Mattinen OriginalPaper Pages: 70 - 74
Energy of the pairwise interactions of the molecules of some liquid crystals with consideration of the changes in their conformation A. Ts. SarkisyanS. M. Yailoyan OriginalPaper Pages: 75 - 78
Crystal and electronic band structure of the organic metal (ET)4Cl2·4H2O R. P. ShibaevaL. P. RozenbergT. A. Khannanova OriginalPaper Pages: 79 - 83
Calculation of the similarity index of crystal structures: Algorithm, program, and examples N. A. BliznyukS. V. Borisov OriginalPaper Pages: 84 - 89
Atomic structure of polycrystalline vanadium molybdate L. M. PlyasovaL. P. Solov'evaI. P. Olen'kova OriginalPaper Pages: 89 - 93
Structure of the cesium curric ethylaminebis (methylphosphonate) heptahydrate B. I. MakaranetsT. N. PolynovaM. A. Porai-Koshits OriginalPaper Pages: 94 - 99
Crystal and molecular structure of the trinuclear heteroligand complex of bis(hexafluoroacetylacetonato) copper(II) with a nitroxyl radical, 4-phenyl-2, 2, 5, 5-tetramethyl-3-imidazoline-1-oxyl, (μ-C13H17N2O)2 [Cu(C5HF6O2)2]3 N. V. PervukhinaN. V. PodberezskayaS. V. Larionov OriginalPaper Pages: 100 - 106
Structure of 1H-pyrrolo[3, 2-h]quinoline S. N. KrasnokutskiiL. N. KurbovskayaV. P. Shabunova OriginalPaper Pages: 106 - 110
What are liquid crystals? (on the 100th anniversary of the discovery) A. S. Sonin Reviews Pages: 111 - 129
Study of the geometrical and electronic characteristics of tri-n-butyl phosphate by the methods of molecular mechanics and quantum chemistry A. A. VarnekA. N. KuznetsovR. P. Ozerov Brief Communications Pages: 130 - 133
Combined analytical formula for two-center Coulomb and hybrid integrals in the molecular coordinate system I. I. GuseinovB. A. MamedovF. G. Pashaev Brief Communications Pages: 134 - 135
Investigation of the electronic structure of the compounds LixTi2-yNby(PO4)3 S. N. NemnonovV. V. ShumilovÉ. Z. Kurmaev Brief Communications Pages: 135 - 138
Calculation of hyperfine magnetic fields at the57Fe nuclei in ferric orthovanadate by the SCF-Xα-DV method É. I. Yur'evaV. P. ZhukovV. A. Gubanov Brief Communications Pages: 138 - 141
Software for precision x-ray diffraction studies R. G. GerrT. N. BorovskayaA. I. Yanovskii Brief Communications Pages: 146 - 147
Crystal structure of cesium metavanadate hemihydrate N. V. AvtamonovaV. K. Trunov Brief Communications Pages: 147 - 149
Crystal structure of 7-aqueous potassium-calcium (2:1) metavanadate N. V. AvtomonovaV. K. Trunov Brief Communications Pages: 150 - 153
Crystal structure of silicon organic compounds. I. Triphenyl-(1-silatranylmethyl) phosphonium iodide M. P. DemidovV. E. ShkloverM. G. Voronkov Brief Communications Pages: 154 - 157
Crystal and molecular structure of n,n′-diamino-9, 10-diphenylanthracene (Dadpha) I. V. BulgarovskayaV. E. ZavodnikB. V. Kotov Brief Communications Pages: 157 - 159