Accurate Prediction of the Hydration Free Energies of 20 Salts through Adaptive Force Matching and the Proper Comparison with Experimental References
Author:
Affiliation:
1. Department of Chemistry and Biochemistry, University of Arkansas, Fayetteville, Arkansas 72701, United States
Funder
National Institute of General Medical Sciences
Division of Materials Research
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.7b04618
Reference57 articles.
1. Absolute Hydration Free Energy Scale for Alkali and Halide Ions Established from Simulations with a Polarizable Force Field
2. New values for the absolute solvation free energy of univalent ions in aqueous solution
3. Robust three-body water simulation model
4. Ion solvation in polarizable water: molecular dynamics simulations
5. Recent Advances in Molecular Simulations of Ion Solvation at Liquid Interfaces
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