"Analytical hessian fitting schemes for efficient determination of ..."

Ruixing Wang, Mikhail Ozhgibesov, Hajime Hirao (2018)

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DOI: 10.1002/JCC.25100

access: closed

type: Journal Article

metadata version: 2020-04-01

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Ruixing Wang, Mikhail Ozhgibesov, Hajime Hirao:
Analytical hessian fitting schemes for efficient determination of force-constant parameters in molecular mechanics. J. Comput. Chem. 39(6): 307-318 (2018)

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