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Atomistic simulation of ion solvation in water explains surface preference of halides

Water is a demanding partner. It strongly attracts ions, yet some halide anions—chloride, bromide, and iodide—are expelled to the air/water interface. This has important implications for chemistry in the atmosphere, including the ozone cycle. We present a quantitative analysis of the energetics of i...

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Autors principals: Caleman, Carl, Hub, Jochen S., van Maaren, Paul J., van der Spoel, David
Format: Artigo
Idioma:Inglês
Publicat: National Academy of Sciences 2011
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC3084043/
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1017903108
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