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A combined effective fragment potential–fragment molecular orbital method. II. Analytic gradient and application to the geometry optimization of solvated tetraglycine and chignolin

✍ Scribed by Nagata, Takeshi; Fedorov, Dmitri G.; Sawada, Toshihiko; Kitaura, Kazuo; Gordon, Mark S.

Book ID: 111863607
Publisher: American Institute of Physics
Year: 2011
Tongue: English
Weight: 966 KB
Volume: 134
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.3517110

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