Molecular polarizabilities as fingerprints of perturbations to water by ions and confinement.
Journal
The Journal of chemical physics
ISSN: 1089-7690
Titre abrégé: J Chem Phys
Pays: United States
ID NLM: 0375360
Informations de publication
Date de publication:
31 Mar 2020
31 Mar 2020
Historique:
entrez:
4
4
2020
pubmed:
4
4
2020
medline:
4
4
2020
Statut:
ppublish
Résumé
Perturbations to water, both by ions and confining media, have been the focus of numerous experimental and theoretical studies. Yet, several open questions remain, including the extent to which such perturbations modify the structural and dielectric properties of the liquid. Here, we present a first-principles molecular dynamics study of alkali cations in water (Li
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM