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Ab Initio Molecular Dynamics Study of Methanol-Water Mixtures under External Electric Fields
Intense electric fields applied on H-bonded systems are able to induce molecular dissociations, proton transfers, and complex chemical reactions. Nevertheless, the effects induced in heterogeneous molecular systems such as methanol-water mixtures are still elusive. Here we report on a series of stat...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7435743/ https://www.ncbi.nlm.nih.gov/pubmed/32722281 http://dx.doi.org/10.3390/molecules25153371 |