DFT Cluster Model of Hydroperoxide Activation Intermediates in Ti-Containing Porous Silicates Научная публикация
Журнал |
Reaction Kinetics and Catalysis Letters
ISSN: 0133-1736 , E-ISSN: 1588-2837 |
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Вых. Данные | Год: 2002, Том: 75, Номер: 1, Страницы: 147-155 Страниц : 9 DOI: 10.1023/A:1014866005634 | ||
Ключевые слова | Ti-silicates; hydroperoxide activation; DFT cluster model | ||
Авторы |
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Организации |
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Информация о финансировании (3)
1 | Российский фонд фундаментальных исследований | 00-15-97441 |
2 | Civilian Research and Development Foundation | REC-008 |
3 | International Association for the Promotion of Co-operation with Scientists from the New Independent States of the Former Soviet Union | IR-97-1071 |
Реферат:
Various intermediates of hydroperoxide activation on Ti-containing microporous and mesoporous silicates were studied using the DFT cluster model approach. Lowering the coordination number of Ti(IV) ions in the matrix was found to destabilize the peroxide form =Ti(OO) and to hinder the formation of singlet dioxygen.
Библиографическая ссылка:
Milov M.A.
, Zhidomirov G.M.
DFT Cluster Model of Hydroperoxide Activation Intermediates in Ti-Containing Porous Silicates
Reaction Kinetics and Catalysis Letters. 2002. V.75. N1. P.147-155. DOI: 10.1023/A:1014866005634 WOS Scopus РИНЦ
DFT Cluster Model of Hydroperoxide Activation Intermediates in Ti-Containing Porous Silicates
Reaction Kinetics and Catalysis Letters. 2002. V.75. N1. P.147-155. DOI: 10.1023/A:1014866005634 WOS Scopus РИНЦ
Даты:
Поступила в редакцию: | 8 окт. 2001 г. |
Принята к публикации: | 12 окт. 2001 г. |
Опубликована в печати: | 1 янв. 2002 г. |
Идентификаторы БД:
Web of science | WOS:000174046900018 |
Scopus | 2-s2.0-0036430329 |
РИНЦ | 13403417 |
Chemical Abstracts | 2002:225813 |
Chemical Abstracts (print) | 136:222301 |
OpenAlex | W1604885486 |