MOLECULAR-INTERACTIONS IN SOLID-STATE AND QUANTUM-CHEMISTRY - A MODEL PROBLEM, THE PROTON-TRANSFER IN ZEOLITES

被引：10

作者：

ALLAVENA, M

KASSAB, E

机构：

[1] Laboratoire Dynamique des Interactions Moléculaires, C.N.R.S., U.P.R. 271, 75252 Paris Cedex 05, Tour 22

来源：

SOLID STATE IONICS | 1993年 / 61卷 / 1-3期

关键词：

D O I：

10.1016/0167-2738(93)90331-V

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The objective of the present article is to review the various methods actually available in quantum chemistry to treat molecular interactions in condensed phase. Proton transfer in zeolite media has been chosen as a typical example and different modelization procedures are described: cluster model and bulk representation. Problems at interfaces between cluster and bulk are also discussed.

引用

页码：33 / 39

页数：7

共 49 条

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