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Molecular Dynamics Simulations of the Dynamic and Energetic Properties of Alkali and Halide Ions Using Water-Model-Specific Ion Parameters
[Image: see text] The dynamic and energetic properties of the alkali and halide ions were calculated using molecular dynamics (MD) and free energy simulations with various different water and ion force fields including our recently developed water-model-specific ion parameters. The properties calcul...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical Society
2009
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2755304/ https://ncbi.nlm.nih.gov/pubmed/19757835 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp902584c |
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