Toshiyuki Takayanagi

Publication Activity (10 Years)

Years Active: 2018-2020
Publications (10 Years): 7

Top Topics

Chemical Reaction

Prepositional Phrase

Brute Force Search

Top Venues

J. Comput. Chem.

Publications

Kohei Saito, Yuya Watabe, Takashi Fujihara, Toshiyuki Takayanagi, Jun-Ya Hasegawa
Spin-inversion mechanisms in O2 binding to a model heme complex revisited by density function theory calculations. J. Comput. Chem. 41 (11) (2020)
Yutaro Sugiura, Haruya Suzuki, Takuma Otomo, Takaaki Miyazaki, Toshiyuki Takayanagi, Masanori Tachikawa
Positron-electron correlation-polarization potential model for positron binding in polyatomic molecules. J. Comput. Chem. 41 (17) (2020)
Kohei Saito, Yuya Watabe, Takaaki Miyazaki, Toshiyuki Takayanagi, Jun-Ya Hasegawa
Cover Image. J. Comput. Chem. 41 (29) (2020)
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) (2020)
Yutaro Sugiura, Kento Suzuki, Toshiyuki Takayanagi, Yukiumi Kita, Masanori Tachikawa
Reduction of OH vibrational frequencies in amino acids by positron attachment. J. Comput. Chem. 39 (25) (2018)
Toshiyuki Takayanagi, Taiki Nakatomi, Yoshiteru Yonetani
On the ion-pair dissociation mechanisms in the small NaCl·(H2O)6 cluster: A perspective from reaction path search calculations. J. Comput. Chem. 39 (23) (2018)
Toshiyuki Takayanagi, Taiki Nakatomi
Automated reaction path searches for spin-forbidden reactions. J. Comput. Chem. 39 (19) (2018)