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The Effects of a More Accurate Polarizable Hamiltonian on Polymorph Free Energies Computed Efficiently by Reweighting Point-Charge Potentials
Dybeck, Eric Christopher, Schieber, Natalie P., Shirts, Michael R.Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.6b00397
Date:
June, 2016
File:
PDF, 2.11 MB
english, 2016