Anomalous values of 〈Ŝ2〉 before and after annihilation of the first spin contaminant in UHF wave function B. N. PlakhutinE. V. GorelikL. I. Trakhtenberg OriginalPaper Pages: 195 - 203
Application of minimization methods in calculating atoms with several open shells Yu. B. MalykhanovS. A. Romanov OriginalPaper Pages: 204 - 212
Ab initio calculation of nitrogen oxide dimer structure and its anion-radical I. I. ZakharovV. F. AnufrienkoZ. R. Ismaguilov OriginalPaper Pages: 213 - 219
Correlation between structure and spectral characteristics of rhodium(I) chelate dicarbonyl complexes and their electron E. A. ShorA. M. ShorA. I. Rubaylo OriginalPaper Pages: 220 - 229
Quantum chemical study of complexation effects of monomethyl mercury cation with inorganic ligands (Cl, Br, I, HO, HS, HSe) in aqueous medium V. A. ShagunS. G. ShevchenkoYu. L. Frolov OriginalPaper Pages: 230 - 236
Density functional calculation of conformations and potentials of internal rotation in polychlorinated biphenyls O. V. DorofeevaV. P. NovikovV. S. Yungman OriginalPaper Pages: 237 - 242
Prediction of olefin IR spectra reasoning from their mass spectra V. V. Vazhev OriginalPaper Pages: 243 - 247
Unusual lability of intramolecular coordination bond O→Si N-(trifluorosilylmethyl)succinimide T. N. AksamentovaM. G. VoronkovV. K. Turchaninov OriginalPaper Pages: 248 - 252
Structural contribution to the effect of hydrophobic hydration of noble gases E. V. IvanovE. J. LebedevaN. G. Ivanova OriginalPaper Pages: 253 - 263
Structure of interparticle space in great noncrystalline packings of Lennard-Jones atoms and its influence on diffusional mobility of admixture particles V. P. VoloshinYu. I. Naberukhin OriginalPaper Pages: 264 - 275
Molecular dynamics simulation of metastable ices IV and XII E. A. ZheligovskayaG. G. Malenkov OriginalPaper Pages: 276 - 284
Solvation of amides of formic and acetic acids in water-glycerol mixture. Additivity of thermochemical characteristics of solutions D. V. BatovD. D. Batov OriginalPaper Pages: 285 - 294
Computer modeling of complex molecule isomerization using supercomputer of MBC 1000 type L. A. GribovV. A. Dement’evV. I. Baranov OriginalPaper Pages: 295 - 302
To basis of the phenomenological method of atom-atom potentials L. A. Gribov OriginalPaper Pages: 303 - 305
Crystal structure of glycine phosphite C2H5NO2·H3PO3 A. E. LapshinYu. I. SmolinG. A. Pankova OriginalPaper Pages: 315 - 319
Volatility and crystal lattice energy of palladium(II) chelates G. I. ZharkovaP. A. StabnikovI. K. Igumenov OriginalPaper Pages: 320 - 327
Crystal structure and thermal investigation of bis-(1-thenoyl-4,4,4-trifluorobutan-1,3-dionato) lead(II) I. A. BaidinaP. A. StabnikovI. K. Igumenov OriginalPaper Pages: 328 - 333
Crystal and molecular structure of N-(benzylimidazolyl-2)-O-methylcarbamate salts K. K. TurgunovA. G. TozhiboevB. Tashkhodzhaev OriginalPaper Pages: 334 - 339
Electronic structure and chemical bonding in K2V3O8 V. M. ZainullinaV. L. VolkovA. L. Ivanovskii Brief Communications Pages: 340 - 342
Structure of valence band in cluster model for cytochrome-c-oxidase active centers T. A. RomanovaP. V. Avramov OriginalPaper Pages: 343 - 346
Theoretical reinvestigation of opposite electronic effects on bond lengths in thiophenols and thiophenolic radicals Hong-Fang JiLiang ShenHong-Yu Zhang OriginalPaper Pages: 347 - 351
Synthesis, structure, and thermal decomposition of a novel one-dimensional chain complex of manganese(II) with 2,2-diphenic acid and 1,10-phenanthroline Ren Yan-WeiDang Li-LongZhang Feng-Xing OriginalPaper Pages: 352 - 357
Crystal structure and quantum chemical investigation of 4-(3,4-dichlorphenyl)-1,2,4-triazole A. V. VirovetsE. V. LiderL. G. Lavrenova OriginalPaper Pages: 358 - 362
Preparation and crystal structure of hydrated crystalline complex of ciprofloxacin and copper tetrachloride A. D. Vasil’evN. N. GolovnevT. D. Churilov OriginalPaper Pages: 363 - 370
Crystal structure of benzoic acid 4-nitrobenzylidenhydrazide Yu. M. ChumakovZ. A. StarikovaA. P. Gulya OriginalPaper Pages: 371 - 375
The absence of nitrone form in re-determined crystal structure of 2-hydroxyimino-3-methyl-4-nitro-2,5-dihydrothiophene 1,1-dioxide A. N. Chekhlov OriginalPaper Pages: 376 - 380
Crystal and molecular structure of 2-(o-hydroxyphenyl)-4,6-diphenylpyridine A. N. Chekhlov OriginalPaper Pages: 381 - 385