No 3 (2014)

Open Access Open Access  Restricted Access Subscription Access
2014 No 3 (561) pp. 335–508

Table of Contents

Editorial

CHEMISTRY OF HETEROCYCLIC COMPOUNDS IN SILICO PDF (Russian)
О. В. Шишкин 339-340

Original Papers

THEORETICAL STUDY OF ONE-ELECTRON REDUCTION AND OXIDATION POTENTIALS OF N-HETEROCYCLIC COMPOUNDS PDF
L. K. Sviatenko, L. Gorb, F. C. Hill, D. Leszczynska, J. Leszczynski 341-348
MOLECULAR STRUCTURE OF 3-AMINO[1,2,4]TRIAZOLO[4,3-a]PYRIMIDIN-5-ONE IN DIFFERENT TAUTOMERIC FORMS: A DFT AND QTAIM STUDY PDF (Russian)
А. В. Aстахов, В. М. Чернышев 349-356
A THEORETICAL INVESTIGATION OF THE RELATIVE STABILITY OF ISOMERIC DIHYDROPYRIDINES PDF
O. V. Shishkin, R. I. Zubatyuk, S. M. Desenko, J. Leszczynski 357-366
QUANTUM CHEMICAL INVESTIGATION OF TAUTOMERIC EQUILIBRIA OF FLUORESCEINE DYES IN DMSO PDF (Russian)
А. В. Лебедь, А. В. Бирюков, Н. О. Мчедлов-Петросян 367-380
THE ELECTRONIC STRUCTURE OF HETEROANNELATED CYCLOOCTATETRAENES AND THEIR UV-VIS ABSORPTION SPECTRA PDF (Russian)
Г. В. Барышников, Н. Н. Карауш, Б. Ф. Минаев 381-396
PHOTO- AND THERMOCHROMIC SPIRANS. 41. QUANTUM CHEMICAL INVESTIGATIONS OF GEOMETRY AND ELECTRONIC STRUCTURE OF 1',3',3'-TRIMETHYL-1,2-DIPHENYLSPIRO[FURO[3,2-f]CHROMENE-7,2'-INDOLINE] IN THE GROUND AND EXCITED STATES PDF (Russian)
Л. В. Чепелева, А. Д. Рошаль, Б. C. Лукьянов, А. О. Дорошенко, Р. В. Тюрин, М. Б. Лукьянова 397-403
QUANTUM-CHEMICAL INVESTIGATIONS OF STRUCTURE AND SPECTRAL PROPERTIES OF 2-(3-COUMAROYL)BENZOPYRYLIUM CATIONS PDF (Russian)
Э. В. Санин, А. И. Новиков, А. Д. Рошаль 404-412
5-[4-(N,N-DIMETHYLAMINO)PHENYL]-2-(4-PYRIDYL)-1,3-OXAZOLE AS A FLUORESCENT PROBE FOR MONITORING MICROHETEROGENEOUS MEDIA PDF (Russian)
О. О. Бородин, Р. Ю. Ильяшенко, А. О. Дорошенко 413-423
CIS/TRANS COORDINATION IN OLEFIN METATHESIS BY STATIC AND MOLECULAR DYNAMIC DFT CALCULATIONS PDF
A. Poater, A. Correa, E. Pump, L. Cavallo 424-430
QUANTUM-CHEMICAL ANALYSIS OF THE ALGAR–FLYNN–OYAMADA REACTION MECHANISM PDF (Russian)
И. Э. Сердюк, А. Д. Рошаль, Е. Блажейовски 431-439
SPECTRAL AND QUANTUM-CHEMICAL STUDY OF ACID-CATALYZED HETEROCYCLIZATION OF S-(2-CHLOROPROP-2-EN-1-YL)ISOTHIURONIUM CHLORIDE WITH ACETYLACETONE PDF (Russian)
Л. М. Синеговская, В. А. Шагун, Е. П. Леванова, Н. А. Корчевин, И. Б. Розенцвейг, В. И. Смирнов 440-452
SYNTHESIS AND CONFORMATIONAL ANALYSIS OF [3-(6-CHLOROPYRIDAZIN-3-YL)-3,4-DIHYDROPYRIDAZINO[4,5-b]QUINOXALIN-2(1H)-YL](PHENYL)METHANONE PDF
A. I. Karkhut, K. B. Bolibrukh, S. V. Polovkovych, O. Khoumeri, O. S. Solovyov, T. Terme, P. Vanelle, V. P. Novikov 453-458
SENSITIVITY OF 3He NMR PARAMETERS TO THE PROXIMITY OF HETEROCYCLIC RINGS. THE HELIUM–FURAN DIMER PDF
M. Nieradka 459-466
SENSITIVITY OF NOBLE GAS NMR PARAMETERS TO THE HETEROCYCLIC RING PROXIMITY. DENSITY FUNCTIONAL THEORY STUDIES OF Ne–FURAN AND Ar–FURAN COMPLEXES PDF
M. Nieradka, T. Kupka 467-475
A THEORETICAL STRUCTURAL STUDY OF ISONIAZID COMPLEXES WITH THIOTRIAZOLINE PDF (Russian)
Р. И. Зубатюк, Л. И. Кучеренко, И. А. Мазур, О. В. Хромылева, О. В. Шишкин 476-482
PREDICTION OF BIOLOGICAL ACTIVITY SPECTRA OF ORGANIC COMPOUNDS USING WEB-RESOURCE PASS ONLINE PDF (Russian)
Д. А. Филимонов, А. А. Лагунин, Т. А. Глориозова, А. В. Рудик, Д. С. Дружиловский, П. В. Погодин, В. В. Поройков 483-499

In memoriam

VORONKOV MIKHAIL GRIGOR'EVICH (12.06.1921-02.10.2014) PDF (Russian)
  500-505
ALAN ROY KATRITZKY (AUGUST 18, 1928 – FEBRUARY 10, 2014) PDF (Russian)
  506-508


 

 

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