Nonadiabatic excited-state intramolecular proton transfer in 3-hydroxyflavone: S

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:
07 Dec 2019

Historique:

entrez: 12 12 2019

pubmed: 12 12 2019

medline: 12 12 2019

Statut: ppublish

Résumé

The excited-state intramolecular proton transfer process in 3-hydroxyflavone is investigated based on the computed structural parameters and energetics of stationary points of vibronically coupled S

Identifiants

DOI: 10.1063/1.5127271 PMID: 31822077

pubmed: 31822077

doi: 10.1063/1.5127271

doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

214304

Auteurs

Neethu Anand (N)

Indian Institute of Science Education and Research, Thiruvananthapuram, Maruthamala PO,Vithura, Thiruvananthapuram 695551, India.

Kai Welke (K)

WPI-Research Initiative-Institute of Transformative Bio-Molecules, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8602, Japan.

Stephan Irle (S)

Computational Sciences and Engineering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.

ORCID: 0000000349954991

Sivaranjana Reddy Vennapusa (SR)