The Simulation of Solvent Polarizabilities and Dipolarities with Polarizable Continuum Model.
Journal
The journal of physical chemistry. B
ISSN: 1520-5207
Titre abrégé: J Phys Chem B
Pays: United States
ID NLM: 101157530
Informations de publication
Date de publication:
11 Jul 2024
11 Jul 2024
Historique:
medline:
11
7
2024
pubmed:
11
7
2024
entrez:
11
7
2024
Statut:
aheadofprint
Résumé
The ability of polarizable continuum models (PCM) to simulate nonspecific solvent effects (dipolarity and polarizability) was evaluated by calculating the transition energies of 1,1,10,10-tetrabutyldecanonaene (ttbp9) and 2-
Identifiants
pubmed: 38989920
doi: 10.1021/acs.jpcb.4c01521
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM