Quantum chemical investigation of the effect of alkali metal ions on the dynamic structure of water in aqueous solutions.
Journal
RSC advances
ISSN: 2046-2069
Titre abrégé: RSC Adv
Pays: England
ID NLM: 101581657
Informations de publication
Date de publication:
05 Sep 2022
05 Sep 2022
Historique:
received:
22
07
2022
accepted:
26
08
2022
entrez:
24
10
2022
pubmed:
25
10
2022
medline:
25
10
2022
Statut:
epublish
Résumé
We report quantum chemical molecular dynamics (MD) simulations based on the density-functional tight-binding (DFTB) method to investigate the effect of K
Identifiants
pubmed: 36275866
doi: 10.1039/d2ra04563j
pii: d2ra04563j
pmc: PMC9480497
doi:
Types de publication
Journal Article
Langues
eng
Pagination
25500-25510Informations de copyright
This journal is © The Royal Society of Chemistry.
Déclaration de conflit d'intérêts
The authors have no conflicts to disclose.
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