"Energy gradients in combined fragment molecular orbital and polarizable ..."

Hui Li et al. (2010)

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DOI: 10.1002/JCC.21363

access: closed

type: Journal Article

metadata version: 2020-04-01

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Hui Li, Dmitri G. Fedorov, Takeshi Nagata, Kazuo Kitaura, Jan H. Jensen, Mark S. Gordon:
Energy gradients in combined fragment molecular orbital and polarizable continuum model (FMO/PCM) calculation. J. Comput. Chem. 31(4): 778-790 (2010)

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