Time-resolved near-edge X-ray absorption fine structure of pyrazine from electronic structure and nuclear wave packet dynamics simulations.


Journal

The Journal of chemical physics
ISSN: 1089-7690
Titre abrégé: J Chem Phys
Pays: United States
ID NLM: 0375360

Informations de publication

Date de publication:
28 Sep 2019
Historique:
entrez: 3 10 2019
pubmed: 3 10 2019
medline: 3 10 2019
Statut: ppublish

Résumé

As a demonstration of the analysis of the electronic structure and the nuclear dynamics from time-resolved near-edge X-ray absorption fine structure (TR-NEXAFS), we present the TR-NEXAFS spectra of pyrazine following the excitation to the

Identifiants

pubmed: 31575192
doi: 10.1063/1.5115154
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

124114

Auteurs

Shota Tsuru (S)

DTU Chemistry-Department of Chemistry, Technical University of Denmark, DK-2800 Kongens Lyngby, Denmark.

Marta L Vidal (ML)

DTU Chemistry-Department of Chemistry, Technical University of Denmark, DK-2800 Kongens Lyngby, Denmark.

Mátyás Pápai (M)

DTU Chemistry-Department of Chemistry, Technical University of Denmark, DK-2800 Kongens Lyngby, Denmark.

Anna I Krylov (AI)

Department of Chemistry, University of Southern California, Los Angeles, California 90089-0482, USA.

Klaus B Møller (KB)

DTU Chemistry-Department of Chemistry, Technical University of Denmark, DK-2800 Kongens Lyngby, Denmark.

Sonia Coriani (S)

DTU Chemistry-Department of Chemistry, Technical University of Denmark, DK-2800 Kongens Lyngby, Denmark.

Classifications MeSH