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Evaluating Classical Force Fields against Experimental Cross-Solvation Free Energies
Kashefolgheta, Sadra, Oliveira, Marina P., Rieder, Salomé R., Horta, Bruno A. C., Acree, William E., Hünenberger, Philippe H.Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.0c00688
Date:
November, 2020
File:
PDF, 11.85 MB
2020