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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...
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| Publicat a: | Molecules |
|---|---|
| Autors principals: | , , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
MDPI
2020
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7435743/ https://ncbi.nlm.nih.gov/pubmed/32722281 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules25153371 |
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