Pseudocontinual model of point dipoles for taking into account solvation in quantum-chemical calculations K. Ya. Burshtein OriginalPaper Pages: 169 - 174
Experimental and theoretical investigation of the electronic structure and spectra of the MoN molecule E. A. PazyukE. N. MoskvitinaI. A. Topol' OriginalPaper Pages: 174 - 180
Investigation of the energy structure of linear π-conjugated molecules by the method of effective additive parameters G. G. DyadyushaM. N. Ushomirskii OriginalPaper Pages: 180 - 188
Efficient way of including self-interaction in the problem of self-consistent field S. V. Chernov OriginalPaper Pages: 188 - 194
Conformational analysis of carbohydrate nitrates and the dependence of their vibrational spectrum on the type of nitro group rotamer V. M. AndrianovaR. G. Zhbankov OriginalPaper Pages: 194 - 200
Quadrupole effects and NMR relaxation in KVF6 S. P. GabudaV. K. GoncharukYu. G. Kriger OriginalPaper Pages: 200 - 206
13C NMR spectra and structure of azo derivatives of phenol and resorcinol L. A. FedorovS. A. SokolovskiiA. N. Ermakov OriginalPaper Pages: 206 - 212
Angular distribution of photoelectronic spectra of molecules in independent atom centers approximation V. G. YarzhemskiiV. I. Nefedov OriginalPaper Pages: 212 - 215
Atomic configurations in close-packed lennard-jones systems N. N. MedvedevV. P. VoloshinYu. I. Naberukhin OriginalPaper Pages: 216 - 222
New boundary conditions in monte carlo methods: Calculations on pure water I. I. SheikhetV. N. LevchukB. Ya. Simkin OriginalPaper Pages: 222 - 226
Effects of boundary conditions on structure and energy calculations for aqueous methane solutions I. I. SheikhetB. Ya. Simkin OriginalPaper Pages: 226 - 230
A dynamic hydrogen-bond criterion in the numerical simulation of water G. G. MalenkovM. M. Frank-KamenetskiiA. G. Grivtsov OriginalPaper Pages: 230 - 233
Pseudorotation and conformational transitions in crystal structures having trigonal prismatic coordination V. A. ShchegolevI. D. DerlugyanP. D. Derlugyan OriginalPaper Pages: 234 - 237
Features of the stereochemical structure of the n-propanol molecule A. A. AbdurakhmanovG. I. Ismailzade OriginalPaper Pages: 238 - 243
Crystal and molecular structure of four disubstituted adamantanes A. E. ProzorovskiiV. A. TafeenkoV. V. Kovalev OriginalPaper Pages: 243 - 251
Molecular structures of two γ-sultones of 1-(3-hydroxyhomoadamantyl-4)isoalkane-1-sulfonic acids V. A. TafeenkoL. A. AslanovÉ. A. Shokova OriginalPaper Pages: 251 - 256
Crystal structure of cis and trans 2,8-dihydroxy-2,4,4,6,6,8,10,10,12,12-decamethylcyclohexasiloxane N. G. FurmanovaV. I. AndrianovN. N. Makarova OriginalPaper Pages: 256 - 261
Crystal and molecular structure of bis(5,5-dimethyl-1,3-dioxan-2-YL) M. A. KhusainovZ. A. StarikovaR. S. Musavirov OriginalPaper Pages: 261 - 265
Three-dimensional structure of 3,9-diphenyl-3,9-dimethyl-2,4,8,10-tetraoxaspiro[5,5]undecane M. A. KhusainovA. E. ObodovskayaD. L. Rachmankulov OriginalPaper Pages: 265 - 269
Crystal structure of 2′,4,4′-trinitro-2-carboxybiphenyl and 4,4′,6,6′-tetranitro-2,2′-dicarboxybiphenyl E. G. PopovaL. A. ChetkinaK. M. Dyumaev OriginalPaper Pages: 269 - 274
Structure of organophosphorus compounds. XXXV. X-ray diffraction study of 1,3-dimethyl-2,2,4,4-tetra-(N,N-dimethylamino)-1,3-diaza-2λ4,4λ4-diphosphetidine-2,4-dionium dichloride A. N. ChernegaM. Yu. AntipinA. M. Pinchuk OriginalPaper Pages: 274 - 278
Exchange-correlation density functions in the theory of many-electron systems O. V. GritsenkoG. M. Zhidomirov Reviews Pages: 279 - 307
An example of a chiral set discontinuous at any point V. I. Sokolov Brief Communications Pages: 308 - 309
Ester-group conformations in carbamates, allophanates, and methacrylates N. V. KozakYu. N. Nizel'skii Brief Communications Pages: 310 - 312
A program for searching for semiempirical parameters by the MNDO method A. A. BliznyukA. A. Voityuk Brief Communications Pages: 312 - 314
Structure of the 1,1,1-trifluoro-3-chloropropane molecule according to data from gas electron diffraction V. S. MastryukovM. É. PoloznikovaR. Stölevik Brief Communications Pages: 314 - 315
Investigation of the state of the intracyclic protons in tetrabenzotriazaporphin by PRM spectroscopy N. Yu. BorovkovA. S. Akopov Brief Communications Pages: 316 - 317
Structure of the proton skeleton of nitrobenzene, determined by1H NMR in the nematic phase A. G. ShakhatuniG. A. PanosyanN. M. Sergeev Brief Communications Pages: 318 - 321
Quadrupole interactions and NMR relaxation in KSbF6 S. G. KozlovaYu. G. KrigerV. K. Goncharuk Brief Communications Pages: 321 - 323
Refinement of the structure and composition of the tetrahydrate of hafnium hexasodium sulfate V. Ya. KuznetsovL. M. DikrarevaD. L. Rogachev Brief Communications Pages: 323 - 325
Chelate compounds of boron with N-phenyl-N′-(pyridyl-2)thiourea I. A. TeslyaZ. A. StarikovaV. A. Dorokhov Brief Communications Pages: 325 - 327
New crystalline modification of dimeric bicyclopentadienyltitanium (III) chloride — C20H20Ti2Cl2 V. K. Bel'skiiI. V. SokolovaA. I. Sizov Brief Communications Pages: 328 - 329
Crystal and molecular structure of 1-(p-chlor-N-methylbenzamide) germatrane S. N. GrukovaA. I. GusevT. K. Gar Brief Communications Pages: 329 - 331