Accurate reaction barrier heights of pericyclic reactions: Surprisingly large deviations for the CBS-QB3 composite method and their consequences in DFT benchmark studies
出版年份 2015 全文链接
标题
Accurate reaction barrier heights of pericyclic reactions: Surprisingly large deviations for the CBS-QB3 composite method and their consequences in DFT benchmark studies
作者
关键词
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出版物
JOURNAL OF COMPUTATIONAL CHEMISTRY
Volume 36, Issue 9, Pages 622-632
出版商
Wiley
发表日期
2015-02-04
DOI
10.1002/jcc.23837
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