Calculating the entropy of fluids from molecular dynamics simulations

被引：0

作者：

Ploetz, Elizabeth ^{[1
]}

Smith, Paul ^{[1
]}

机构：

[1] Kansas State Univ, Manhattan, KS 66506 USA

来源：

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2019年 / 257卷

关键词：

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

630

引用

页数：1

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[11] Molecular dynamics simulations of isomerization kinetics in condensed fluids [J].

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