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Temperature Dependence and Energetics of Single Ions at the Aqueous Liquid-Vapor Interface
We investigate temperature-dependence of free energetics with two single halide anions, I(−) and Cl(−), crossing the aqueous liquid-vapor interface through molecular dynamics simulations. The result shows that I(−) has a modest surface stability of 0.5 kcal/mol at 300 K and the stability decreases a...
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| Main Authors: | , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
2013
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4210776/ https://ncbi.nlm.nih.gov/pubmed/23537166 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp401243m |
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