"Analytic second derivatives for the efficient electrostatic embedding in ..."

Hiroya Nakata, Dmitri G. Fedorov (2018)

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DOI: 10.1002/JCC.25360

access: closed

type: Journal Article

metadata version: 2020-05-30

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Hiroya Nakata, Dmitri G. Fedorov:
Analytic second derivatives for the efficient electrostatic embedding in the fragment molecular orbital method. J. Comput. Chem. 39(25): 2039-2050 (2018)

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