Catalysis of the Nitroso-Diels-Alder cycloaddition reaction between CH
Activation energies
Catalysis
Cycloaddition
Interaction
Nitroso–Diels–Alder
Pnictogen bonding
Theoretical study
Journal
Journal of molecular graphics & modelling
ISSN: 1873-4243
Titre abrégé: J Mol Graph Model
Pays: United States
ID NLM: 9716237
Informations de publication
Date de publication:
12 2023
12 2023
Historique:
received:
04
05
2023
revised:
13
07
2023
accepted:
28
07
2023
medline:
25
9
2023
pubmed:
15
8
2023
entrez:
15
8
2023
Statut:
ppublish
Résumé
Density functional theory calculations at the M06-2X/aug-cc-pVTZ level of theory have been used to examine the Nitroso-Diels-Alder (N-D-A) cycloaddition reaction between the CH
Identifiants
pubmed: 37582304
pii: S1093-3263(23)00181-X
doi: 10.1016/j.jmgm.2023.108583
pii:
doi:
Substances chimiques
1,3-butadiene
JSD5FGP5VD
Types de publication
Journal Article
Research Support, Non-U.S. Gov't
Langues
eng
Sous-ensembles de citation
IM
Pagination
108583Informations de copyright
Copyright © 2023 Elsevier Inc. All rights reserved.
Déclaration de conflit d'intérêts
Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.