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"UNO DMRG CAS CI calculations of binuclear manganese complex ..."

Takashi Kawakami et al. (2019)

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DOI: 10.1002/JCC.25602

access: closed

type: Journal Article

metadata version: 2020-05-30

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Takashi Kawakami, Koichi Miyagawa, Sandeep Sharma, Toru Saito, Mitsuo Shoji, Satoru Yamada, Shusuke Yamanaka, Mitsutaka Okumura, Takahito Nakajima, Kizashi Yamaguchi:
UNO DMRG CAS CI calculations of binuclear manganese complex Mn(IV)2O2(NHCHCO2)4: Scope and applicability of Heisenberg model. J. Comput. Chem. 40(2): 333-341 (2019)

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