SIMPLE PERTURBATION-THEORY ESTIMATES OF EQUILIBRIUM-CONSTANTS FROM FORCE-FIELDS

被引：108

作者：

TRUHLAR, DG

ISAACSON, AD

机构：

[1] UNIV MINNESOTA, INST SUPERCOMP, MINNEAPOLIS, MN 55455 USA

[2] MIAMI UNIV, DEPT CHEM, OXFORD, OH 45056 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1991年 / 94卷 / 01期

关键词：

D O I：

10.1063/1.460350

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：

We propose and test a very simple method for calculating equilibrium constants

引用

页码：357 / 359

页数：3

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