Computation of methodology-independent single-ion solvation properties from molecular simulations. IV. Optimized Lennard-Jones interaction parameter sets for the alkali and halide ions in water-Reference-Cited by-同舟云学术

Computation of methodology-independent single-ion solvation properties from molecular simulations. IV. Optimized Lennard-Jones interaction parameter sets for the alkali and halide ions in water

Published:2011-04-14 Issue:14 Volume:134 Page:144104
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Reif Maria M.,Hünenberger Philippe H.

Funder

National Science Foundation

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.3567022

Reference328 articles.

1. Computation of methodology-independent ionic solvation free energies from molecular simulations. I. The electrostatic potential in molecular liquids

2. Computation of methodology-independent ionic solvation free energies from molecular simulations. II. The hydration free energy of the sodium cation

3. Computation of methodology-independent single-ion solvation properties from molecular simulations. III. Correction terms for the solvation free energies, enthalpies, entropies, heat capacities, volumes, compressibilities, and expansivities of solvated ions

4. Statistical Mechanics of Fluid Mixtures

5. Structural and energetic effects of truncating long ranged interactions in ionic and polar fluids

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