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

Journal of chemical information and modeling, 2017-03, Vol.57 (3), p.391-396 [Periódico revisado por pares]

United States: American Chemical Society

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