Yoshiyuki Koyano

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)

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)

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)

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)