"Can large active-space CASSCF calculation make sense to the reaction ..."

Naoki Nakatani, Masahiko Hada (2019)

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DOI: 10.1002/JCC.25640

access: closed

type: Journal Article

metadata version: 2020-05-30

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Naoki Nakatani, Masahiko Hada:
Can large active-space CASSCF calculation make sense to the reaction analysis of iron complex? A benchmark study of methane oxidation reaction by FeO+. J. Comput. Chem. 40(2): 414-420 (2019)

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