Self-Consistent Scheme Combining MD and Order-
Journal
Journal of chemical theory and computation
ISSN: 1549-9626
Titre abrégé: J Chem Theory Comput
Pays: United States
ID NLM: 101232704
Informations de publication
Date de publication:
14 Jan 2020
14 Jan 2020
Historique:
pubmed:
25
12
2019
medline:
25
12
2019
entrez:
25
12
2019
Statut:
ppublish
Résumé
The nonpolarizable force field of ionic liquids is tuned by using the self-consistent scheme of molecular dynamics (MD) simulation and first-principles calculation based on the order-
Identifiants
pubmed: 31873016
doi: 10.1021/acs.jctc.9b00793
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM