@misc{indiciae482e4fb91ff5, title = {ParFit: A Python-Based Object-Oriented Program for Fitting Molecular Mechanics Parameters to ab Initio Data}, author = {Zahariev, Federico and De Silva, Nuwan and Gordon, Mark S. and Windus, Theresa L. and Dick-Perez, Marilu}, year = {2017}, doi = {10.1021/acs.jcim.6b00654}, url = {https://www.osti.gov/biblio/1347393}, note = {Source identifier: 1347393} }