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2014 No 3 (561) pp. 335–508
Table of Contents
Editorial
| CHEMISTRY OF HETEROCYCLIC COMPOUNDS IN SILICO |
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| О. В. Шишкин | 339-340 |
Original Papers
| THEORETICAL STUDY OF ONE-ELECTRON REDUCTION AND OXIDATION POTENTIALS OF N-HETEROCYCLIC COMPOUNDS |
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| 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 |
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| А. В. Aстахов, В. М. Чернышев | 349-356 |
| A THEORETICAL INVESTIGATION OF THE RELATIVE STABILITY OF ISOMERIC DIHYDROPYRIDINES |
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| O. V. Shishkin, R. I. Zubatyuk, S. M. Desenko, J. Leszczynski | 357-366 |
| QUANTUM CHEMICAL INVESTIGATION OF TAUTOMERIC EQUILIBRIA OF FLUORESCEINE DYES IN DMSO |
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| А. В. Лебедь, А. В. Бирюков, Н. О. Мчедлов-Петросян | 367-380 |
| THE ELECTRONIC STRUCTURE OF HETEROANNELATED CYCLOOCTATETRAENES AND THEIR UV-VIS ABSORPTION SPECTRA |
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| 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 |
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| 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 |
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| 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 |
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| О. О. Бородин, Р. Ю. Ильяшенко, А. О. Дорошенко | 413-423 |
| CIS/TRANS COORDINATION IN OLEFIN METATHESIS BY STATIC AND MOLECULAR DYNAMIC DFT CALCULATIONS |
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| A. Poater, A. Correa, E. Pump, L. Cavallo | 424-430 |
| QUANTUM-CHEMICAL ANALYSIS OF THE ALGAR–FLYNN–OYAMADA REACTION MECHANISM |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| M. Nieradka, T. Kupka | 467-475 |
| A THEORETICAL STRUCTURAL STUDY OF ISONIAZID COMPLEXES WITH THIOTRIAZOLINE |
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| 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 |
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| 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) |
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| 500-505 |
| ALAN ROY KATRITZKY (AUGUST 18, 1928 – FEBRUARY 10, 2014) |
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| 506-508 |
Latvian Institute of Organic Synthesis - Aizkraukles iela, 21, Riga, LV-1006, Latvia - hgs@osi.lv