A Non-Bornian Analysis of the Gibbs Energy of Ion Hydration
Author:
Affiliation:
1. Department of Chemistry, Graduate School of Science, Kobe University
2. Department of Chemistry of Functional Molecules, Faculty of Science and Engineering, Konan University
Publisher
The Chemical Society of Japan
Subject
General Chemistry
Link
http://www.journal.csj.jp/doi/pdf/10.1246/bcsj.20130296
Reference36 articles.
1. Free energy of ionic hydration: Analysis of a thermodynamic integration technique to evaluate free energy differences by molecular dynamics simulations
2. Ab initio molecular dynamics calculations of ion hydration free energies
3. The effects of charge transfer on the aqueous solvation of ions
4. Hydration of chloride and bromide anions: determination of relative free energy by computer simulation
5. Monte Carlo study of free energy of hydration for Li+, Na+, K+, F−, and Cl− with ab initio potentials
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