Spin-state energetics of manganese spin crossover complexes: Comparison of single-reference and multi-reference ab initio approaches
出版年份 2021 全文链接
标题
Spin-state energetics of manganese spin crossover complexes: Comparison of single-reference and multi-reference ab initio approaches
作者
关键词
Spin-state energetics, Spin crossover, Coupled cluster theory, Multireference calculations, DFT
出版物
POLYHEDRON
Volume 208, Issue -, Pages 115399
出版商
Elsevier BV
发表日期
2021-07-30
DOI
10.1016/j.poly.2021.115399
参考文献
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