A MONTE-CARLO METHOD FOR DETERMINING FREE-ENERGY DIFFERENCES AND TRANSITION-STATE THEORY RATE CONSTANTS

被引：94
|
作者：
VOTER, AF
机构：
来源：
JOURNAL OF CHEMICAL PHYSICS | 1985年 / 82卷 / 04期
关键词：
D O I：
10.1063/1.448373
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：
引用
收藏
页码：1890 / 1899
页数：10
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