Quantum Chemical Treatment of Active Sites in Zeolites Обзор
| Конференция |
2nd Russian-Korean Seminar on Catalysis 16-19 мая 1995 , Novosibirsk |
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| Журнал |
Reaction Kinetics and Catalysis Letters
ISSN: 0133-1736 , E-ISSN: 1588-2837 |
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| Вых. Данные | Год: 1996, Том: 57, Номер: 2, Страницы: 263-274 Страниц : 12 DOI: 10.1007/BF02064741 | ||
| Ключевые слова | H-FeZSM-5, Reaction mechanism, Selective oxidizing active sites, Titanium silicalite, Zeolite acid sites | ||
| Авторы |
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| Организации |
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Информация о финансировании (1)
| 1 | International Science Foundation | RBH300 |
Реферат:
A short review on the quantum chemical study of the Bronsted and Lewis acid sites (BAS and LAS) is presented. Various factors that strongly influence the power of BAS in zeolites are considered. Different possible ways of LAS formation in zeolites are discussed. The probable mechanism of selective oxidation in FeHZSM-5 is considered and the resulting active site structure is calculated ab initio. The initial step of hydrogen peroxide activation in
Ti-silicalite is studied and the scale of the energy of structural deformation to proceed during the reaction is evaluated.
Библиографическая ссылка:
Zhidomirov G.M.
, Arbuznikov A.V.
, Yudanov I.V.
, Kachurovskaya N.A.
Quantum Chemical Treatment of Active Sites in Zeolites
Reaction Kinetics and Catalysis Letters. 1996. V.57. N2. P.263-274. DOI: 10.1007/BF02064741 WOS Scopus РИНЦ CAPlusCA OpenAlex
Quantum Chemical Treatment of Active Sites in Zeolites
Reaction Kinetics and Catalysis Letters. 1996. V.57. N2. P.263-274. DOI: 10.1007/BF02064741 WOS Scopus РИНЦ CAPlusCA OpenAlex
Даты:
| Поступила в редакцию: | 8 июн. 1995 г. |
| Принята к публикации: | 24 июл. 1995 г. |
| Опубликована в печати: | 1 мар. 1996 г. |
Идентификаторы БД:
| Web of science: | WOS:A1996VF17000008 |
| Scopus: | 2-s2.0-0001449795 |
| РИНЦ: | 13233265 |
| Chemical Abstracts: | 1996:499895 |
| Chemical Abstracts (print): | 125:152064 |
| OpenAlex: | W2045057439 |