Halide, Ammonium, and Alkali Metal Ion Parameters for Modeling Aqueous Solutions
Author:
Affiliation:
1. Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct600252r
Reference55 articles.
1. Effects of truncating long-range interactions in aqueous ionic solution simulations
2. Free energy of ionic hydration: Analysis of a thermodynamic integration technique to evaluate free energy differences by molecular dynamics simulations
3. Analysis of Electrostatic Potential Truncation Schemes in Simulations of Polar Solvents
4. Combining the lattice-sum and reaction-field approaches for evaluating long-range electrostatic interactions in molecular simulations
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