Communication: An accurate full 15 dimensional permutationally invariant potential energy surface for the OH + CH4 → H2O + CH3 reaction
出版年份 2015 全文链接
标题
Communication: An accurate full 15 dimensional permutationally invariant potential energy surface for the OH + CH4 → H2O + CH3 reaction
作者
关键词
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出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 143, Issue 22, Pages 221103
出版商
AIP Publishing
发表日期
2015-12-12
DOI
10.1063/1.4937570
参考文献
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH4 system
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- (2014) Jun Li et al. JOURNAL OF CHEMICAL PHYSICS
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- Communication: Full dimensional quantum rate coefficients and kinetic isotope effects from ring polymer molecular dynamics for a seven-atom reaction OH + CH4 → CH3 + H2O
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