Transformation of Bloch representation into atomic orbital representation and combined matrix element calculation technique for spatially bounded basis functions in crystals V. M. Tapilin OriginalPaper Pages: 1 - 8
Corrugated single-layer graphite sheet as a model of stepped surface of a crystal V. M. Tapilin OriginalPaper Pages: 9 - 15
Structure of (DMF)m(HCl)n complexes (m= 2, n = 3–4) G. V. YukhnevichE. G. TarakanovaI. S. Kislina OriginalPaper Pages: 16 - 22
Structure and stability of hydrogen fluoride complexes with N,N-dimethylformamide E. G. TarakanovaG. V. Yukhnevich OriginalPaper Pages: 23 - 27
Isomer structures of thioketene and its cyclic oligomers. Ab initio calculations Yu. L. FrolovA. G. MalkinaB. A. Trofimov OriginalPaper Pages: 28 - 33
Quantum chemical study of the effects of interaction of polyhydrated Hg(II) with methylcobalamin — A derivative of vitamin B12 V. A. ShagunS. G. ShevchenkoYu. L. Frolov OriginalPaper Pages: 34 - 42
Theoretical study of the conformational states of triosmium clusters with a chiral pinane ligand V. A. PotemkinV. A. MaksakovV. S. Korenev OriginalPaper Pages: 43 - 48
Some aspects of scaling factor calculations for quantum-mechanical molecular force fields Yu. N. PanchenkoCh. W. BockG. R. De Maré OriginalPaper Pages: 49 - 58
63Cu and 139La NMR and chemical bonding in anion-deficient perovskite LACu0.81Ni0.19O2.5+δ R. N. PletnevÉ. I. YurievaG. V. Bazuev OriginalPaper Pages: 59 - 66
Structural and thermodynamic analysis of heteroassociation of daunomycin and flavin mononucleotide molecules in water by 1H NMR spectroscopy M. P. EvstigneevA. O. RozvadovskayaA. N. Veselkov OriginalPaper Pages: 67 - 74
Identification of Pt(II) and Pd(II) stereoisomeric complexes with aminobutyric acid by NMR and IR spectroscopy L. F. KrylovaL. M. Matveeva OriginalPaper Pages: 75 - 86
Structure of irradiated polytetrafluoroethylene according to DFT calculations of NMR chemical shifts V. M. BuznikS. P. GabudaL. N. Ignatieva OriginalPaper Pages: 87 - 92
Prepeak in the structural factor. Inhomogeneous packings of Lennard-Jones atoms V. P. VoloshinN. N. Medvedev OriginalPaper Pages: 93 - 97
Interatomic voids in analysis of computer model structures of liquids and glasses N. N. MedvedevV. P. Voloshin OriginalPaper Pages: 98 - 102
Crystal structure of KPb2Cl5 and KPb2Br5 A. A. MerkulovL. I. IsaenkoD. Yu. Naumov OriginalPaper Pages: 103 - 108
Synthesis, crystal structure, and properties of [Rh(NH3)5Cl][ReBr6] K. V. YusenkoS. A. GromilovS. V. Korenev OriginalPaper Pages: 109 - 115
Crystal structure of Pb2[Fe(CN)6]NO3·5.5H2O S. A. GromilovI. A. BaidinaL. G. Maksimova OriginalPaper Pages: 116 - 121
Synthesis and structure of binuclear compounds of copper(I) with [(3,5-dimethylpyrazole-1-carbothioyl)-amino]-carboxylic esters Z. A. SavelyevaS. A. PopovS. V. Larionov OriginalPaper Pages: 122 - 130
Crystal and molecular structure of [Au(C14H24N4)][H3O](ClO4)4 V. A. AfanasyevaL. A. GlinskayaL. A. Sheludyakova OriginalPaper Pages: 131 - 136
Synthesis and structure of [Ni(dien)2]3[W4S4(CN)2]·20H2O and [Cu(dien)(Hdien)]2[W4S4(CN)12]·8H2O I. V. KalininaD. G. SamsonenkoM. Yu. Antipin OriginalPaper Pages: 137 - 146
Synthesis and crystal structure of KNa3[Fe3O(CH3COO)6(H2O)2]3 [α-P2W17Fe(H2O)O61]·32.5H2O N. V. IzarovaM. N. SokolovV. P. Fedin OriginalPaper Pages: 147 - 153
Molecular and crystal structure of 3-butoxy-4-(1,3,3-trimethyl-2,3-dihydro-1H-2-indolylidenemethyl)-3-cyclobutene-1,2-dione and its thio analog S. V. ShishkinaV. N. BaumerL. D. Patsenker OriginalPaper Pages: 154 - 158
Ab initio investigation of aniline and n-propylamine associates with dimethylsulfoxide, isobutyronitrile, and N-methylpiperidone I. A. NovakovV. V. KorolkovL. A. Gribov Brief Communications Pages: 159 - 163
Tunneling effects of dyadic prototropic rearrangement of hypophosphorous acid A. V. PrisyazhnyukYu. V. Babin OriginalPaper Pages: 164 - 167
Ab initio calculation of the structure of acetate cellulose membranes for reverse osmosis E. V. ButyrskayaV. A. ShaposhnikA. A. Reznikov OriginalPaper Pages: 168 - 171
Changes in the conformational parameters of 1-allylbenzotriazole in a mixed halide π-complex [CuCl0.85Br0.15(C6H4N3CH2=CH2)] under the action of bromine atoms E. A. GoreshnikB. M. MykhalichkoV. N. Davydov OriginalPaper Pages: 172 - 176
Crystal and molecular structure of (hexafluoroacetylacetonato) (pivaloylacetonato)copper(II) I. A. BaidinaS. A. GromilovA. D. Vasilyev OriginalPaper Pages: 177 - 181
Crystal and molecular structure of tris(m-chlorophenyl)phosphine selenide A. N. Chekhlov OriginalPaper Pages: 182 - 184
Disordered crystal structure of 4,7,13,16,21,24-hexaoxa-1-aza-10-azoniabicyclo[8.8.8]hexacosane perchlorate monohydrate A. N. Chekhlov OriginalPaper Pages: 185 - 190
Molecular and crystal structure of N-[2H-1,4-benzoxazin-3(4H)-ylidene]-cyclohexane aminium chloride S. V. ShishkinaS. M. DesenkoO. V. Shishkin OriginalPaper Pages: 191 - 194