 | 2011 |
| 4 |  | Kenta Yamada,
Yoshiyuki Koyano,
Takuya Okamoto,
Toshio Asada,
Nobuaki Koga,
Masataka Nagaoka:
Toward a new approach for determination of solute's charge distribution to analyze interatomic electrostatic interactions in quantum mechanical/molecular mechanical simulations.
Journal of Computational Chemistry 32(14): 3092-3104 (2011) |
| 3 |  | Takuya Okamoto,
Kenta Yamada,
Yoshiyuki Koyano,
Toshio Asada,
Nobuaki Koga,
Masataka Nagaoka:
A minimal implementation of the AMBER-GAUSSIAN interface for ab initio QM/MM-MD simulation.
Journal of Computational Chemistry 32(5): 932-942 (2011) |
| 2010 |
| 2 |  | Yoshiyuki Koyano,
Norio Takenaka,
Yukinori Nakagawa,
Masataka Nagaoka:
An optimum strategy for solution chemistry using semiempirical molecular orbital method. II. Primary importance of reproducing electrostatic interaction in the QM/MM framework.
Journal of Computational Chemistry 31(14): 2628-2641 (2010) |
| 1 |  | Norio Takenaka,
Yoshiyuki Koyano,
Yukinori Nakagawa,
Masataka Nagaoka:
An optimum strategy for solution chemistry using semiempirical molecular orbital method: Importance of description of charge distribution.
Journal of Computational Chemistry 31(6): 1287-1296 (2010) |