Explicit electron density functionals. Pseudowave approach I. M. Reznik OriginalPaper Pages: 169 - 172
Theoretical study of migrational nonrigidity of molecules of salts of closo-boranes Li2B6H6, BeB6H6, (BeH)2B6H6, and LiB6H6 − A. M. Mebel'O. P. Charkin OriginalPaper Pages: 173 - 183
Effect of structural defects on the electronic structure and stability of cubic molybdenum carbide A. L. IvanovskiiV. I. AnisimovV. A. Gubanov OriginalPaper Pages: 184 - 189
Quantum-chemical analysis of acid-base properties of metal complexes of azaporphyrins by the INDO method K. A. Kon'kovG. M. ZhidomirovYu. V. Ivanov OriginalPaper Pages: 189 - 194
Fragment-by-fragment analysis of molecular orbitals in some substituted benzenes V. V. MurakhtanovL. N. MazalovL. G. Bulusheva OriginalPaper Pages: 194 - 202
Theoretical investigation of all possible channels of isomerization and dissociation reactions of the formaldehyde molecule R. M. MinyaevM. E. Kletskii OriginalPaper Pages: 202 - 210
Electronic structure of adsorbed pyridine and ammonia complexes on γ-Al2O3 V. M. Gun'koL. M. RoevS. A. Sergienko OriginalPaper Pages: 210 - 215
Electron-diffraction investigation of the structure of the 2-methyl-5-vinyltetrazole molecule in the gaseous phase N. I. SadovaA. A. IvanovYu. A. Pankrushev OriginalPaper Pages: 216 - 223
Molecular structure of 1,1-dimethylhydrazine O. A. LitvinovL. V. ErmolaevaV. A. Naumov OriginalPaper Pages: 224 - 228
Photoelectron spectrum and quantum-chemical structural analysis of N-methyl-N-methoxydiazene-N-oxide V. V. ZverevR. G. IslamovV. M. Vakar' OriginalPaper Pages: 228 - 233
Photoelectron spectrum and quantum-chemical analysis of structure of bis(N-methoxydiazene-N-oxido)methane V. V. ZverevF. Kh. IslamovaR. G. Islamov OriginalPaper Pages: 233 - 238
Semiempirical methods applied to long-wave satellites in X-ray emission spectra I. N. TimonovaV. V. MurakhtanovL. N. Mazalov OriginalPaper Pages: 238 - 248
Continuum states, xanes, and EXAFS for VO4 3−, CrO4 2−, and MnO4 − A. V. KondratenkoÉ. S. FominL. N. Mazalov OriginalPaper Pages: 249 - 253
Structure of simple liquids as a problem of percolation in the Voronoi grid N. N. MedvedevV. P. VoloshinYu. I. Naberukhin OriginalPaper Pages: 253 - 260
Spatial organization of random coils of linear poly(ethylenimine) containing copper(II) ions in solution A. I. KokorinA. A. Shubin OriginalPaper Pages: 260 - 267
Monte Carlo calculations on structural and thermodynamic characteristics for acetone and the Na+-acetone system at 298 K D. I. MustafinÉ. S. FoisG. Morozi OriginalPaper Pages: 267 - 272
Crystal and molecular structures of cesium phenylpentachloroplumbate and tetramethylammonium phenylpentachlorostannate A. V. YatsenkoS. V. MedvedevL. A. Aslanov OriginalPaper Pages: 272 - 276
Structure of 1,2,3,4,7-pentachloro-9-oxatricyclo[2,2,1,25,7]-non-2-ene C8H5Cl5O A. N. ShnulinS. A. IsmailovV. I. Shil'nikov OriginalPaper Pages: 276 - 281
Crystal structure of organosilicon compounds LII. 1-carboxy-1,1,2,2,3,3,4,4-octaphenyltetrasilane and 4,4,5,5,6,6,7,7,8,8-decaphenyl-4,5,6,7,8-pentasilaundeca-1,10-diene Yu. É. OvchinnikovV. E. ShkloverT. M. Ezhova OriginalPaper Pages: 281 - 289
Molecular and crystal structures of 6-trifluoromethyl-5-perfluoroethyl-7,7-difluoro-2,3-dihydro-1,4-dioxepin-5,6-trifluoromethyl-5-perfluoroethyl-2,3-dihydro-1,4-dioxepin-5-one-7 and 2-methyl-6-trifluoromethyl-5-perfluoroethyl-2,3-dihydro-1,4-dioxepin-5-one-7 S. V. SeredaM. Yu. AntipinK. N. Makarov OriginalPaper Pages: 290 - 295
Crystal and molecular structure of pyridinyl 2S, 6S, 7S-tris(trichlormethyl)-4-phenyl-1-phospha-3,5,8-trioxa-4-borato-bicyclo[2,2,2]octane I. A. LitvinovYu. T. StruchkovV. A. Naumov OriginalPaper Pages: 296 - 300
Effects of N substituents on structure in 2-N-substituted 8-oxyquinolines: Conjugation between the unshared electron pair on the nitrogen atom and the aromatic ring Z. A. Starikova Reviews Pages: 301 - 324
Construction of planar representations of a molecular electrostatic potential P. E. KuznetsovA. A. ShcherbakovR. G. Gerr Brief Communications Pages: 325 - 328
Program for calculating Politzer charges by the method of electronegativity equalization P. E. KuznetsovA. A. ShcherbakovT. V. Timofeeva Brief Communications Pages: 329 - 330
Calculation of overlap integrals between slater type orbitals using the fourier transformation I. I. GuseinovT. M. MursalovN. A. Allakhverdiev Brief Communications Pages: 331 - 333
Calculation of one- and two-electron integrals of\({}_r\mu - 1_e - xr\left\{ \begin{gathered} S_{v\sigma } (\theta , \varphi ) \hfill \\ Y_{v\sigma } (\theta , \varphi ) \hfill \\ \end{gathered} \right.\) between slater type orbitals I. I. GuseinovT. M. MursalovN. A. Allakhverdiev Brief Communications Pages: 334 - 336
Programming package for semiempirical determination of vibronic radiative transition probabilities in diatomic molecules A. I. DrachevB. P. LavrovV. P. Prosikhin Brief Communications Pages: 337 - 338
Unusual electronic state for iron in the superconductor V. A. VarnekL. V. ChernikovaL. N. Mazalov Brief Communications Pages: 338 - 342
Effect of the counterion on spin and charge density distribution in the phenanthroline radical anion Yu. B. VysotskiiM. M. MestechkinL. N. Sivyakova Brief Communications Pages: 342 - 345
Chiral and achiral subsets of the conformational manifold of a molecule V. I. Sokolov Brief Communications Pages: 346 - 348
Molecular and crystal structure of derivatives of higher internal perfluoroalkenes S. V. SeredaL. L. GervitsYu. T. Struchkov Brief Communications Pages: 349 - 353
Characteristic features of the structure of methylene- and hexamethylenebis(13-crown-4) M. D. MazusYu. A. SimonovT. I. Malinovskii Brief Communications Pages: 353 - 357
