Computational Design of an Electro-Organocatalyst for Conversion of CO
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:
04 Jul 2024
04 Jul 2024
Historique:
medline:
4
7
2024
pubmed:
4
7
2024
entrez:
4
7
2024
Statut:
aheadofprint
Résumé
Density functional theory calculations employing a hybrid implicit/explicit solvation method were used to demonstrate that an electro-organocatalyst designed in our previous work for reducing CO
Identifiants
pubmed: 38962806
doi: 10.1021/acs.jpca.4c00780
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM