Effects of a More Accurate Polarizable Hamiltonian on Polymorph Free Energies Computed Efficiently by Reweighting Point-Charge Potentials

标题
Effects of a More Accurate Polarizable Hamiltonian on Polymorph Free Energies Computed Efficiently by Reweighting Point-Charge Potentials
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 12, Issue 8, Pages 3491-3505
出版商
American Chemical Society (ACS)
发表日期
2016-06-26
DOI
10.1021/acs.jctc.6b00397

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