Signatures of Conical Intersection Dynamics in the Time-Resolved Photoelectron Spectrum of Furan: Theoretical Modeling with an Ensemble Density Functional Theory Method.
conical intersection
ensemble DFT
ionization potential
non-adiabatic dynamics
time-resolved photoelectron spectra
Journal
International journal of molecular sciences
ISSN: 1422-0067
Titre abrégé: Int J Mol Sci
Pays: Switzerland
ID NLM: 101092791
Informations de publication
Date de publication:
20 Apr 2021
20 Apr 2021
Historique:
received:
30
03
2021
revised:
13
04
2021
accepted:
15
04
2021
entrez:
30
4
2021
pubmed:
1
5
2021
medline:
26
5
2021
Statut:
epublish
Résumé
The non-adiabatic dynamics of furan excited in the
Identifiants
pubmed: 33924097
pii: ijms22084276
doi: 10.3390/ijms22084276
pmc: PMC8074317
pii:
doi:
Substances chimiques
Furans
0
furan
UC0XV6A8N9
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Subventions
Organisme : National Research Foundation of Korea
ID : 2019H1D3A2A02102948
Organisme : Samsung Science and Technology Foundations
ID : SSTF-BA1701-12
Organisme : National Research Foundation of Korea
ID : 2020R1A2C2008246
Organisme : National Research Foundation of Korea
ID : 2020R1A5A1019141
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