Fragment molecular orbital method: application to molecular...

Chemical Physics Letters 2003 Vol. 372; Iss. 3-4

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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Volume:
372
Year:
2003
Language:
english
Pages:
6
DOI:
10.1016/s0009-2614(03)00430-5
File:
PDF, 206 KB
english, 2003
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