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Simple electrolyte solutions: Comparison of DRISM and molecular dynamics results for alkali halide solutions
Using the dielectrically consistent reference interaction site model (DRISM) of molecular solvation, we have calculated structural and thermodynamic information of alkali-halide salts in aqueous solution, as a function of salt concentration. The impact of varying the closure relation used with DRISM...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Institute of Physics
2013
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3568087/ https://ncbi.nlm.nih.gov/pubmed/23387564 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4775743 |
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