Accurate Spin-State Energetics of Transition Metal Complexes. 1. CCSD(T), CASPT2, and DFT Study of [M(NCH)6]2+ (M = Fe, Co)

标题
Accurate Spin-State Energetics of Transition Metal Complexes. 1. CCSD(T), CASPT2, and DFT Study of [M(NCH)6]2+ (M = Fe, Co)
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 8, Issue 11, Pages 4216-4231
出版商
American Chemical Society (ACS)
发表日期
2012-09-27
DOI
10.1021/ct300592w

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