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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Detalles Bibliográficos
Autores principales: Cassone, Giuseppe, Sofia, Adriano, Sponer, Jiri, Saitta, A. Marco, Saija, Franz
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7435743/
https://www.ncbi.nlm.nih.gov/pubmed/32722281
http://dx.doi.org/10.3390/molecules25153371

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