ab initio molecular dynamics
aqueous solutions
chemical reactivity
electric fields
methanol
proton transfer
Journal
Molecules (Basel, Switzerland)
ISSN: 1420-3049
Titre abrégé: Molecules
Pays: Switzerland
ID NLM: 100964009
Informations de publication
Date de publication:
24 Jul 2020
24 Jul 2020
Historique:
received:
24
06
2020
revised:
17
07
2020
accepted:
20
07
2020
entrez:
30
7
2020
pubmed:
30
7
2020
medline:
2
3
2021
Statut:
epublish
Résumé
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 state-of-the-art
Identifiants
pubmed: 32722281
pii: molecules25153371
doi: 10.3390/molecules25153371
pmc: PMC7435743
pii:
doi:
Substances chimiques
Water
059QF0KO0R
Methanol
Y4S76JWI15
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
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