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Capturing Deuteration Effects in a Molecular Mechanics Force Field: Deuterated THF and the THF-Water Miscibility Gap
Agarwal, Rupesh, Smith, Micholas Dean, Smith, Jeremy C.Langue:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.9b01138
Date:
March, 2020
Fichier:
PDF, 3.06 MB
english, 2020