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Ab Initio Molecular Dynamics Simulations of the Influence of Lithium Bromide on the Structure of the Aqueous Solution–Air Interface
[Image: see text] We present the results of ab initio molecular dynamics simulations of the solution–air interface of aqueous lithium bromide (LiBr). We find that, in agreement with the experimental data and previous simulation results with empirical polarizable force field models, Br(–) anions pref...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6727360/ https://www.ncbi.nlm.nih.gov/pubmed/30605330 http://dx.doi.org/10.1021/acs.jpcb.8b10552 |