Tuning ultrafast time-evolution of photo-induced charge-transfer states: A real-time electronic dynamics study in substituted indenotetracene derivatives.

Crisci, Luigi; Coppola, Federico; Petrone, Alessio; Rega, Nadia

Crisci, Luigi; Coppola, Federico; Petrone, Alessio; Rega, Nadia.

Affiliation

Crisci L; Department of Chemical Sciences, University of Napoli Federico II, Complesso Universitario di M.S. Angelo, Naples, Italy.
Coppola F; Scuola Normale Superiore di Pisa, Pisa, Italy.
Petrone A; Scuola Superiore Meridionale, Naples, Italy.
Rega N; Department of Chemical Sciences, University of Napoli Federico II, Complesso Universitario di M.S. Angelo, Naples, Italy.

J Comput Chem ; 45(4): 210-221, 2024 Feb 05.

Article de En | MEDLINE | ID: mdl-37706600

Mots clés

electronic dynamics; indenotetracene; photo-induced charge-transfer; real-time TD-DFT; substituent effects

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Texte intégral: 1 Collection: 01-internacional Base de données: MEDLINE Langue: En Journal: J Comput Chem Sujet du journal: QUIMICA Année: 2024 Type de document: Article Pays d'affiliation: Italie

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