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"Spin-inversion mechanisms in O2 binding to a model heme compound: A ..."

Kohei Saito et al. (2020)

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DOI: 10.1002/JCC.26409

access: closed

type: Journal Article

metadata version: 2020-12-25

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Kohei Saito, Yuya Watabe, Takaaki Miyazaki, Toshiyuki Takayanagi, Jun-Ya Hasegawa:
Spin-inversion mechanisms in O2 binding to a model heme compound: A perspective from nonadiabatic wave packet calculations. J. Comput. Chem. 41(29): 2527-2537 (2020)

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