Intermolecular Interactions and Charge Resonance Contributions to Triplet and Singlet Exciton States of Oligoacene Aggregates.

Dai, Yasi; Calzolari, Alessandro; Zubiria-Ulacia, Maria; Casanova, David; Negri, Fabrizia

Dai, Yasi; Calzolari, Alessandro; Zubiria-Ulacia, Maria; Casanova, David; Negri, Fabrizia.

Afiliación

Dai Y; Dipartimento di Chimica "Giacomo Ciamician", Università di Bologna, 40126 Bologna, Italy.
Calzolari A; Dipartimento di Chimica "Giacomo Ciamician", Università di Bologna, 40126 Bologna, Italy.
Zubiria-Ulacia M; Donostia International Physics Center (DIPC), 20018 Donostia-San Sebastian, Euskadi, Spain.
Casanova D; Kimika Fakultatea, Euskal Herriko Unibertsitatea (UPV/EHU), Manuel Lardizabal 3, 20018 Donostia-San Sebastian, Euskadi, Spain.
Negri F; Donostia International Physics Center (DIPC), 20018 Donostia-San Sebastian, Euskadi, Spain.

Molecules ; 28(1)2022 Dec 23.

Article en En | MEDLINE | ID: mdl-36615311

Palabras clave

TDDFT; adiabatic states; charge resonance states; charge transfer states; diabatic states; diabatization; exciton states; frenkel excitons; oligoacenes; singlet states; triplet states

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Molecules Asunto de la revista: BIOLOGIA Año: 2022 Tipo del documento: Article País de afiliación: Italia Pais de publicación: Suiza

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