Photoinduced Desorption Dynamics of CO from Pd(111): A Neural Network Approach.
Journal
Journal of chemical theory and computation
ISSN: 1549-9626
Titre abrégé: J Chem Theory Comput
Pays: United States
ID NLM: 101232704
Informations de publication
Date de publication:
10 Aug 2021
10 Aug 2021
Historique:
pubmed:
20
7
2021
medline:
20
7
2021
entrez:
19
7
2021
Statut:
ppublish
Résumé
Modeling the ultrafast photoinduced dynamics and reactivity of adsorbates on metals requires including the effect of the laser-excited electrons and, in many cases, also the effect of the highly excited surface lattice. Although the recent ab initio molecular dynamics with electronic friction and thermostats, (
Identifiants
pubmed: 34278798
doi: 10.1021/acs.jctc.1c00347
pmc: PMC8389528
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
4648-4659Références
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