Accurate prediction of experimental free energy of activation barriers for the aliphatic-Claisen rearrangement through DFT calculations

出版年份 2011 全文链接

标题

Accurate prediction of experimental free energy of activation barriers for the aliphatic-Claisen rearrangement through DFT calculations

作者

关键词

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出版物

Computational and Theoretical Chemistry

Volume 976, Issue 1-3, Pages 167-182

出版商

Elsevier BV

发表日期

2011-08-30

DOI

10.1016/j.comptc.2011.08.022

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