35/37Cl NMR Chemical Shifts and Nuclear Quadrupole Couplings for Some Small Chlorine Compounds: Experimental and Theoretical Study Научная публикация
Журнал |
Chemical Physics Letters
ISSN: 0009-2614 , E-ISSN: 1873-4448 |
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Вых. Данные | Год: 1996, Том: 258, Номер: 3-4, Страницы: 330-335 Страниц : 6 DOI: 10.1016/0009-2614(96)00662-8 | ||||||
Ключевые слова | Density-functional theory; Atoms; Complexes; Molecules; Tensor | ||||||
Авторы |
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Организации |
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Информация о финансировании (2)
1 | Slovenská akadémia vied | 2/1172/96 |
2 | Alexander von Humboldt Foundation |
Реферат:
An experimental study and quantum-chemical density functional theory calculations of 35/37Cl NMR chemical shifts and nuclear quadrupole couplings for some small chlorine compounds were performed. The experimental and theoretical data are in good agreement. The results clearly demonstrate that high field chlorine NMR can be used for identification of small chloride molecules. Solvent effects on chlorine chemical shifts are estimated.
Библиографическая ссылка:
Fedotov M.A.
, Malkina O.L.
, Malkin V.G.
35/37Cl NMR Chemical Shifts and Nuclear Quadrupole Couplings for Some Small Chlorine Compounds: Experimental and Theoretical Study
Chemical Physics Letters. 1996. V.258. N3-4. P.330-335. DOI: 10.1016/0009-2614(96)00662-8 WOS Scopus РИНЦ
35/37Cl NMR Chemical Shifts and Nuclear Quadrupole Couplings for Some Small Chlorine Compounds: Experimental and Theoretical Study
Chemical Physics Letters. 1996. V.258. N3-4. P.330-335. DOI: 10.1016/0009-2614(96)00662-8 WOS Scopus РИНЦ
Даты:
Поступила в редакцию: | 9 мая 1996 г. |
Опубликована в печати: | 16 авг. 1996 г. |
Опубликована online: | 9 дек. 1998 г. |
Идентификаторы БД:
Web of science | WOS:A1996VC07100002 |
Scopus | 2-s2.0-0030590178 |
РИНЦ | 13227518 |
Chemical Abstracts | 1996:495265 |
Chemical Abstracts (print) | 125:156723 |
OpenAlex | W2090422497 |