How Accurate Can a Local Coupled Cluster Approach Be in Computing the Activation Energies of Late-Transition-Metal-Catalyzed Reactions with Au, Pt, and Ir?

标题
How Accurate Can a Local Coupled Cluster Approach Be in Computing the Activation Energies of Late-Transition-Metal-Catalyzed Reactions with Au, Pt, and Ir?
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 8, Issue 9, Pages 3119-3127
出版商
American Chemical Society (ACS)
发表日期
2012-07-19
DOI
10.1021/ct3003942

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