Quantum chemical treatment of active sites in zeolitesстатья
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Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 12 октября 2013 г.
Авторы:
Zhidomirov G.M. ,
Arbuznikov A.V.,
Yudanov I.V.,
Kachurovskaya N.A.
Журнал:
REACTION KINETICS AND CATALYSIS LETTERS
Том:
57
Номер:
2
Год издания:
1996
Первая страница:
263
Последняя страница:
274
Аннотация:
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. © Akadémiai Kiadó, All rights reserved.
Добавил в систему:
Жидомиров Георгий Михайлович