Документ взят из кэша поисковой машины. Адрес оригинального документа : http://www.chem.msu.ru/eng/journals/vmgu/091/abs002.html
Дата изменения: Unknown
Дата индексирования: Fri Feb 28 08:29:47 2014
Кодировка:
Moscow University Chemistry Bulletin Vol. 50, No. 1, P. 9 (2009)
ChemNet
 
Previous article Next article Contents  

S. V. Malyishev, A. A. Kubasov, L. E. Kitaev

Quantum mechanical approach to investigate the interaction of aluminum and boron contained zeolite clusters with water and ammonia molecules

Abstract

Quantum mechanical approach to investigate the interaction of water and ammonia molecules with the model acceptor center of zeolites was used. Zeolite like cyclic clusters consist of nine Si and one Al or B atoms. The geometry and energy of molecules and as well as their complexes with clusters were computed. The calculated values of the energy of studied test molecules coordination with zeolite clusters allow quantitative comparing the strength of the model acceptor centers.
Moscow University Chemistry Bulletin.
2009, Vol. 50, No. 1, P. 9
   

Copyright (C) Chemistry Dept., Moscow State University, 2002
   Overview
   Editorial board
   Tables of Contents
   Subscription

The site is supported by Russian Foundation for Basic Research
  The using of published on this page materials is not allowed without special permission
Copyright (C) Chemisty Department of Moscow State University
Web-Editor: B.I.Pokrovskii
Web-design: Copyright (C) MIG and VVM
webmaster@www.chem.msu.su