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

Intermolecular interactions modulate the electro-optical properties of molecular materials and the nature of low-lying exciton states. Molecular materials composed by oligoacenes are extensively investigated for their semiconducting and optoelectronic properties. Here, we analyze the exciton states...

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Principais autores: Yasi Dai, Alessandro Calzolari, Maria Zubiria-Ulacia, David Casanova, Fabrizia Negri
Format: Artigo
Sprog:Inglês
Udgivet: MDPI AG 2022-12-01
Serier:Molecules
Fag:
oligoacenes
exciton states
singlet states
triplet states
TDDFT
diabatization
Online adgang:https://www.mdpi.com/1420-3049/28/1/119
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