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

Journal of Chemical Information and Modeling 2017 / 03 Vol. 57; Iss. 3

ParFit: A Python-Based Object-Oriented Program for Fitting Molecular Mechanics Parameters to ab Initio Data

Zahariev, Federico, De Silva, Nuwan, Gordon, Mark S., Windus, Theresa L., Dick-Perez, Marilu
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Volume:
57
Language:
english
Journal:
Journal of Chemical Information and Modeling
DOI:
10.1021/acs.jcim.6b00654
Date:
March, 2017
File:
PDF, 521 KB
english, 2017
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