Mitsutaka Okumura

Publication Activity (10 Years)

Years Active: 2013-2019
Publications (10 Years): 3

Top Topics

Empirical Findings

Top Venues

J. Comput. Chem.

Publications

Yoshinori Ato, Akihide Hayashi, Hiroaki Koga, Kohei Tada, Takashi Kawakami, Shusuke Yamanaka, Mitsutaka Okumura
Theoretical study of correlations between the coordination structures and catalytic activities in polymer-stabilized au nanocluster catalysts. J. Comput. Chem. 40 (1) (2019)
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) (2019)
Yuki Mitsuta, Shusuke Yamanaka, Takashi Kawakami, Mitsutaka Okumura
Automated Search of Minimum Free-Energy Path by Umbrella Integration. J. Comput. Chem. 39 (23) (2018)
Toru Matsui, Yasutaka Kitagawa, Mitsutaka Okumura, Yasuteru Shigeta, Shigeyoshi Sakaki
Consistent scheme for computing standard hydrogen electrode and redox potentials. J. Comput. Chem. 34 (1) (2013)