An optimum strategy for solution chemistry using semiempirical molecular orbital method. II. Primary importance of reproducing electrostatic interaction in the QM/MM framework. - Yoshiyuki Koyano; Norio Takenaka; Yukinori Nakagawa; Masataka Nagaoka (J. Comput. Chem., 2010)

An optimum strategy for solution chemistry using semiempirical molecular orbital method: Importance of description of charge distribution. - Norio Takenaka; Yoshiyuki Koyano; Yukinori Nakagawa; Masataka Nagaoka (J. Comput. Chem., 2010)