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Affine-response model of molecular solvation of ions: Accurate predictions of asymmetric charging free energies
Two mechanisms have been proposed to drive asymmetric solvent response to a solute charge: a static potential contribution similar to the liquid-vapor potential, and a steric contribution associated with a water molecule's structure and charge distribution. In this work, we use free-energy pert...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Institute of Physics
2012
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3470608/ https://ncbi.nlm.nih.gov/pubmed/23020318 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4752735 |
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