Fragment molecular orbital method: Application to molecular dynamics simulation, 'ab initio FMO-MD'

Yuto Komeiji, Tatsuya Nakano, Kaori Fukuzawa, Yutaka Ueno, Yuichi Inadomi, Tadashi Nemoto, Masami Uebayasi, Dmitri G. Fedorov, Kazuo Kitaura

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95 Citations (Scopus)

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