Hydration Free Energies of Molecular Ions from Theory and Simulation
Author:
Affiliation:
1. Department of Pure and Applied Chemistry, University of Strathclyde, 295 Cathedral Street, Glasgow, G1 1XL, United Kingdom
Funder
Engineering and Physical Sciences Research Council
Scottish Universities Physics Alliance
Seventh Framework Programme
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.5b10809
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5. Combination of RISM and Cheminformatics for Efficient Predictions of Hydration Free Energy of Polyfragment Molecules: Application to a Set of Organic Pollutants
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