Spin-inversion mechanisms in O2 binding to a model heme complex revisited by density function theory calculations. - Kohei Saito; Yuya Watabe; Takashi Fujihara; Toshiyuki Takayanagi; Jun-Ya Hasegawa (J. Comput. Chem., 2020)

Cover Image. - Kohei Saito; Yuya Watabe; Takaaki Miyazaki; Toshiyuki Takayanagi; Jun-Ya Hasegawa (J. Comput. Chem., 2020)

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