Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory.
Journal
ACS omega
ISSN: 2470-1343
Titre abrégé: ACS Omega
Pays: United States
ID NLM: 101691658
Informations de publication
Date de publication:
22 Sep 2020
22 Sep 2020
Historique:
received:
21
07
2020
accepted:
17
08
2020
entrez:
28
9
2020
pubmed:
29
9
2020
medline:
29
9
2020
Statut:
epublish
Résumé
A constrained density functional theory/classical trajectory surface hopping study of the photochemical dissociation of oxirane (CH
Identifiants
pubmed: 32984727
doi: 10.1021/acsomega.0c03483
pmc: PMC7513336
doi:
Types de publication
Journal Article
Langues
eng
Pagination
24057-24063Informations de copyright
Copyright © 2020 American Chemical Society.
Déclaration de conflit d'intérêts
The authors declare no competing financial interest.
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