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Binding Enthalpy Calculations for a Neutral Host–Guest Pair Yield Widely Divergent Salt Effects across Water Models
Gao, Kaifu, Yin, Jian, Henriksen, Niel M., Fenley, Andrew T., Gilson, Michael K.Volume:
11
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.5b00676
Date:
October, 2015
File:
PDF, 2.65 MB
english, 2015