Development of dissociative force field for all-atomistic molecular dynamics calculation of fracture of polymers. - Kazushi Fujimoto; Rajadeep Singh Payal; Tomonori Hattori; Wataru Shinoda; Masayuki Nakagaki; Shigeyoshi Sakaki; Susumu Okazaki (J. Comput. Chem., 2019)

Electronic processes in NO dimerization on Ag and Cu clusters: DFT and MRMP2 studies. - Nozomi Takagi; Masayuki Nakagaki; Kazuya Ishimura; Ryoichi Fukuda; Masahiro Ehara; Shigeyoshi Sakaki (J. Comput. Chem., 2019)