The Challenge of Reproducing with Calculations Raw Experimental Kinetic Data for an Organic Reaction.
Journal
Organic letters
ISSN: 1523-7052
Titre abrégé: Org Lett
Pays: United States
ID NLM: 100890393
Informations de publication
Date de publication:
17 Apr 2020
17 Apr 2020
Historique:
pubmed:
27
2
2020
medline:
27
2
2020
entrez:
27
2
2020
Statut:
ppublish
Résumé
DFT calculations and microkinetic simulations are applied to the reproduction of previously reported experimental results on the evolution of product concentration versus time in the condensation reaction of
Identifiants
pubmed: 32101443
doi: 10.1021/acs.orglett.0c00367
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM