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A comparison of sodium and hydrogen halides at the air-water interface

New molecular models, parameterized to ab initio calculations, were developed to describe HBr and HI at the air-water interface. These were used to compare how the air-water interface influenced dissociation of NaX and HX, with X being Cl, Br, or I, and also their propensity for the interface. The p...

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Detalhes bibliográficos
Publicado no:J Chem Phys
Autor principal: Wick, Collin D.
Formato: Artigo
Idioma:Inglês
Publicado em: AIP Publishing LLC 2017
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5648577/
https://ncbi.nlm.nih.gov/pubmed/29096503
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4984114
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