Combined quantum mechanical and molecular mechanical approaches

被引：0

作者：

Mordasini, TZ ^{[1
]}

Thiel, W ^{[1
]}

机构：

[1] Univ Zurich, Inst Organ Chem, CH-8057 Zurich, Switzerland

来源：

CHIMIA | 1998年 / 52卷 / 06期

关键词：

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The embedding of a quantum mechanical region in a molecular mechanical environment allows a theoretical treatment of very large systems. This article reviews recent methodological developments for such hybrid methods and surveys selected applications including solvation effects, enzymatic reactions, and electronic excitations in condensed phase.

引用

页码：288 / 291

页数：4

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