Optimization of basis sets for isoelectronic series of closed-shell atoms in Hartree-Fock-Roothaan calculations Y. B. MalykhanovR. N. PravosudovV. V. Meshkov OriginalPaper Pages: 175 - 184
Electronic structure and ionic conductivity in calcium- and yttrium-stabilized zirconium dioxide V. M. ZainullinaV. P. ZhukovN. I. Medvedeva OriginalPaper Pages: 185 - 193
Density functional calculation for ozone-ethylene complexes N. F. TyupaloI. I. ZakharovV. I. Avdeev OriginalPaper Pages: 194 - 199
Oxygen diffusion through the Ag(111) surface: A quantum chemical study by the NDDO/MC method M. A. MilovI. L. ZilberbergG. M. Zhidomirov OriginalPaper Pages: 200 - 205
Relationship between the energy characteristics of formation of fluorozirconates E. I. VoitA. V. VoitV. I. Sergienko OriginalPaper Pages: 206 - 211
Quantum chemical study of the structure of glasses based on niobium oxytrifluoride L. N. IgnatievaV. M. Buznik OriginalPaper Pages: 212 - 216
Electron diffraction study of molecular structure and inversion potential for 1,1-dimethylsilacyclobutane and 1,1,3,3-tetramethyl-1,3-disilacyclobutane V. P. NovikovS. A. TarasenkoL. V. Vilkov OriginalPaper Pages: 217 - 230
Molecular structure of erbium trichloride monomer and dimer by electron diffraction and mass spectrometric data N. I. GirichevaG. V. GirichevO. V. Pelipets OriginalPaper Pages: 231 - 237
Prephase state in 2-bromo-2-nitropropane-1,3-diol crystals: Structural aspects and IR spectra N. I. GolovinaN. V. ChukanovL. O. Atovmyan OriginalPaper Pages: 238 - 242
NMR studies of transformations of Pt(II) and Pd(II) complexes with amino acids in solution. 1. Glycine complexes L. F. KrylovaA. V. Golovin OriginalPaper Pages: 243 - 253
NMR studies of transformations of aminoacid complexes of Pt(II) and Pd(II) in solution. 2. Bisalaninates L. F. KrylovaA. V. Golovin OriginalPaper Pages: 254 - 262
Structure of binary sulfides withD 2h 16 symmetry S. V. BorisovS. A. MagarillN. V. Podberezskaya OriginalPaper Pages: 263 - 271
Crystal-chemical functions of [Hg2]2+ and [Hg3]4+ groups in inorganic structures S. V. BorisovS. A. MagarillN. V. Pervukhina OriginalPaper Pages: 272 - 279
A new type of mixed framework in the crystal structure of binary molybdate Nd2Zr3(MoO4)9 R. F. KlevtsovaS. F. SolodovnikovZh. G. Bazarova OriginalPaper Pages: 280 - 284
Layer polymeric Cu(II) complexes with enaminoketone derivatives of 3-imidazoline nitroxide. First structurally defined CuBr2 complex with imidazoline zwitterion G. V. RomanenkoV. I. Ovcharenko OriginalPaper Pages: 285 - 293
Crystal structure of copper(II) (+)-(S,S′)-α,α′-(9-OXO-l,5-diphenyl-3,7-diazabicyclo[3.3.1]non-3,7-ylene)dipropionate dihydrate A. N. Chekhlov OriginalPaper Pages: 294 - 300
Parametric method in the theory of vibronic spectra of complex molecules. Excited state structure and fluorescence spectrum of stilbene V. I. BaranovA. N. Solov’yov OriginalPaper Pages: 301 - 308
Evaluation of the relationship between spectral and structural similarity in IR spectroscopy V. N. Piottukh-PeletskiiB. G. DerendyaevO. N. Sharapova OriginalPaper Pages: 309 - 317
Quantum chemical models and electronic structure of active centers of heterogeneous polymerization of olefins I. I. Zakharov OriginalPaper Pages: 318 - 328
Force constants of XHn groups and their dimensionality G. V. Yukhnevich Brief Communication Pages: 329 - 331
Refinement of the molecular parameters of rubidium metaborate Y. S. EzhovS. A. Komarov Brief Communication Pages: 332 - 335
NMR and structural transformations in pyridinium hexafluorotantalate PyTaF6 M. L. AfanasievV. V. Lisin Brief Communication Pages: 336 - 337
Intramolecular effect of the copper(II) ion on the fluorine NMR chemical shifts of the dioxane complexes of copper polyfluorocarboxylates A. V. SobolevS. A. KrupoderV. S. Danilovich Brief Communication Pages: 338 - 339
Syntheses and X-ray studies of the complexes [M(NH3)4][M′X6] (M = Pt, Pd; M′ = Re, Os; X = Cl, Br) A. I. GubanovS. V. KorenevA. B. Venediktov Brief Communication Pages: 340 - 343
Crystal structures of two polymorphous modifications of the cluster complex Fe2W(Μ-H)(μ3-Te)(CO)8(η5-C5H5) A. V. VirovetsS. N. KonchenkoE. V. Ostanina Brief Communication Pages: 344 - 349
Mössbauer spectra of Fe(III) complexes with N, S(Se, O) chelate azomethine ligands V. A. VarnekL. N. MazalovA. D. Garnovskii Brief Communication Pages: 350 - 353