Modeling Complex Solvent Effects on the Optical Rotation of Chiral Molecules: A Combined Molecular Dynamics and Density Functional Theory Study.
Journal
The journal of physical chemistry. A
ISSN: 1520-5215
Titre abrégé: J Phys Chem A
Pays: United States
ID NLM: 9890903
Informations de publication
Date de publication:
22 Apr 2021
22 Apr 2021
Historique:
pubmed:
9
4
2021
medline:
9
4
2021
entrez:
8
4
2021
Statut:
ppublish
Résumé
The challenge of assigning the absolute stereochemical configuration to a chiral compound can be overcome
Identifiants
pubmed: 33829790
doi: 10.1021/acs.jpca.1c00803
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM