Fragment Molecular Orbital method-based Molecular Dynamics (FMO-MD) as a simulator for chemical reactions in explicit solvation. - Yuto Komeiji; Takeshi Ishikawa; Yuji Mochizuki; Hiroshi Yamataka; Tatsuya Nakano (J. Comput. Chem., 2009)

Does alpha-effect exist in E2 reactions? A G2(+) investigation. - Yi Ren; Hiroshi Yamataka (J. Comput. Chem., 2009)