Regularization method and molecular integrals with singular exponential functions I. V. MaslovA. N. Niukkanen OriginalPaper Pages: 149 - 156
Asymptotic formulas for Coulomb and hybrid integrals with slater type functions I. V. MaslovA. N. Niukkanen OriginalPaper Pages: 157 - 160
A new method to calculate overlap integrals of vibrational wave functions in the theory of vibronic spectra of polyatomic molecules V. I. BaranovD. Yu. Zelentsov OriginalPaper Pages: 161 - 168
Electronic structure and properties of isolectronically substituted compounds Y1Ba2−m M m Cu3O7 and Y1Ba2−m M m Cu4O8 (M=Be, Mg, Ca, Sr, Ba, Ra) A. I. ErmakovE. A. ZharikovaI. E. Kuznetsov OriginalPaper Pages: 169 - 175
Ab initio calculations of interaction between the hydrated Fe2+ ion and molecular ozone I. I. ZakharovO. I. KolbasinaG. M. Zhidomirov OriginalPaper Pages: 176 - 181
To the theory of electron scattering by polyatomic molecules M. D. Él'kinÉ. K. Kosterina OriginalPaper Pages: 182 - 187
Data selection for structure generation in structure elucidation systems using molecular spectroscopy databases S. G. MolodtsovK. S. LebedevB. G. Derendyaev OriginalPaper Pages: 188 - 194
35Cl NQR study of CCl3 reorientations in the carbonyl-containing derivatives of 3,3,3-trichloropropene A. D. GordeevI. A. KyuntselV. V. Shchepin OriginalPaper Pages: 195 - 200
Electronic structure analysis of 4-chlorophenylisoxazoles and 4-chloroisoxazolines by35Cl NQR spectra and quantum chemical calculations O. Kh. PoleshchukYa. KoputS. D. Sokolov OriginalPaper Pages: 201 - 208
Photoelectron spectra andab initio calculations of the electronic structure of amino-n-sulfenyl chlorides V. V. ZverevB. M. MusinV. B. Ivanov OriginalPaper Pages: 209 - 214
Computational modeling of amorphous silica. 1. Modeling the starting structures. A general conception V. D. KhavryuchenkoE. F. Sheka OriginalPaper Pages: 215 - 223
High-resolution diffractometer for structural studies of polycrystalline materials A. N. ShmakovS. V. MytnichenkoB. P. Tolochko OriginalPaper Pages: 224 - 228
The structure of the framework strontium aluminate Sr6[Al12O24]·Bi2O3 with an included Bi2O3 “molecule” V. V. BakakinN. V. PodberezskayaT. I. Malinovskii OriginalPaper Pages: 229 - 235
Comparative study of crystal structures of [M(NH3)5NO2]XY and [M(NH3)5ONO]XY. Crystal structure of [Co(NH3)5NO2](NO3)2·0.25H2O A. V. VirovetsE. V. BoldyrevaN. V. Podberezskaya OriginalPaper Pages: 236 - 241
Synthesis of mixed-ligand managanese(II) complexes with alkyl xanthate ions and nitrogen-containing heterocycles. Crystal and molecular structure of the [Mn(S2COC3H7−i )2(2,2′-Bipy)] complex V. N. KirichenkoL. A. GlinskayaS. V. Larionov OriginalPaper Pages: 242 - 247
Crystal, molecular, and electronic structure of carboxylate [Fe3O(CH3COO)6(H2O)3]NO3·4H2O K. I. TurteS. G. ShovaT. I. Malinovskii OriginalPaper Pages: 248 - 255
The notion of structure in modern chemistry. 1. Levels and aspects of modeling and description P. M. ZorkiiL. V. LanshinaE. Yu. Korableva OriginalPaper Pages: 256 - 259
Self-consistent calculation of the electronic structure of surfaces of transition and noble metals V. M. Tapilin Brief Communications Pages: 260 - 262
Multicenter one-electron integrals with slater functions of the operatorr l+2kYl, m(r) I. V. MaslovA. V. Niukkanen Brief Communications Pages: 263 - 264
Calculation of cohesive and mixing energies and equilibrium parameters of solid alkaline earth fluoride solutions L. M. IominA. I. Livshits Brief Communications Pages: 265 - 268
Evolution of OH-vibration bandshape in liquids upon hydrogen bond strengthening Yu. Ya. Efimov Brief Communications Pages: 269 - 272
Crystal and molecular structure of Cu(II) and Ni(II) complexes with N-arylthiopicolineamides Z. G. AlievL. O. AtovmyanV. I. Kolyada Brief Communications Pages: 273 - 275
