TREATMENT OF ROTATIONAL ISOMERS IN FREE-ENERGY EVALUATIONS - ANALYSIS OF THE EVALUATION OF FREE-ENERGY DIFFERENCES BY MOLECULAR-DYNAMICS SIMULATIONS OF SYSTEMS WITH ROTATIONAL ISOMERIC STATES

被引：83

作者：

STRAATSMA, TP

MCCAMMON, JA

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1989年 / 90卷 / 06期

关键词：

D O I：

10.1063/1.456651

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

页码：3300 / 3304

页数：5

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