"ParFit: A Python-Based Object-Oriented Program for Fitting Molecular ..."

Federico Zahariev et al. (2017)

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DOI: 10.1021/ACS.JCIM.6B00654

access: closed

type: Journal Article

metadata version: 2020-03-06

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Federico Zahariev, Nuwan De Silva, Mark S. Gordon, Theresa L. Windus, Marilu Dick-Perez:
ParFit: A Python-Based Object-Oriented Program for Fitting Molecular Mechanics Parameters to ab Initio Data. J. Chem. Inf. Model. 57(3): 391-396 (2017)

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