Reaction barrier heights for cycloreversion of heterocyclic rings: An Achilles’ heel for DFT and standard ab initio procedures

出版年份 2015 全文链接

标题

作者

关键词

Cycloreversion, Cycloelimination, Density functional theory, G4 theory, W1 theory

出版物

Volume 458, Issue -, Pages 1-8

出版商

Elsevier BV

发表日期

2015-07-11

DOI

10.1016/j.chemphys.2015.07.005

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