Jun-Ya Hasegawa

Publication Activity (10 Years)

Years Active: 2003-2021
Publications (10 Years): 5

Top Topics

Scripting Language

Statistical Model

Reversible Data Hiding

Top Venues

J. Comput. Chem.

Publications

Danjo De Chavez, Jun-Ya Hasegawa
: A Python module for mechanochemical simulations. SoftwareX 16 (2021)
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)
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)
Iori Harada, Akira Nakayama, Jun-Ya Hasegawa
Constraint structure optimization to a specific minimum using ionization energy. J. Comput. Chem. 40 (2) (2019)
Yasuomi Kiyota, Jun-Ya Hasegawa, Kazuhiro Fujimoto, Ben Swerts, Hiroshi Nakatsuji
A multicore QM/MM approach for the geometry optimization of chromophore aggregate in protein. J. Comput. Chem. 30 (8) (2009)
Jun-Ya Hasegawa, Kazuhiro Fujimoto, Ben Swerts, Tomoo Miyahara, Hiroshi Nakatsuji
Excited states of GFP chromophore and active site studied by the SAC-CI method: Effect of protein-environment and mutations. J. Comput. Chem. 28 (15) (2007)
Hiroyuki Nakashima, Jun-Ya Hasegawa, Hiroshi Nakatsuji
On the O2 binding of Fe-porphyrin, Fe-porphycene, and Fe-corrphycene complexes. J. Comput. Chem. 27 (12) (2006)
Hiroyuki Nakashima, Jun-Ya Hasegawa, Hiroshi Nakatsuji
On the reversible O2 binding of the Fe-porphyrin complex. J. Comput. Chem. 27 (4) (2006)
Abhijit K. Das, Jun-Ya Hasegawa, Tomoo Miyahara, Masahiro Ehara, Hiroshi Nakatsuji
Electronic excitations of the green fluorescent protein chromophore in its protonation states: SAC/SAC-CI study. J. Comput. Chem. 24 (12) (2003)