Can DFT Accurately Predict Spin Densities? Analysis of Discrepancies in Iron Nitrosyl Complexes

标题
Can DFT Accurately Predict Spin Densities? Analysis of Discrepancies in Iron Nitrosyl Complexes
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 7, Issue 9, Pages 2740-2752
出版商
American Chemical Society (ACS)
发表日期
2011-08-15
DOI
10.1021/ct1006218

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