How the Interplay among Conformational Disorder, Solvation, Local, and Charge-Transfer Excitations Affects the Absorption Spectrum and Photoinduced Dynamics of Perylene Diimide Dimers: A Molecular Dynamics/Quantum Vibronic Approach

[Image: see text] In this contribution we present a mixed quantum-classical dynamical approach for the computation of vibronic absorption spectra of molecular aggregates and their nonadiabatic dynamics, taking into account the coupling between local excitations (LE) and charge-transfer (CT) states....

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Detalles Bibliográficos
Autores principales: Segalina, Alekos, Aranda, Daniel, Green, James A., Cristino, Vito, Caramori, Stefano, Prampolini, Giacomo, Pastore, Mariachiara, Santoro, Fabrizio
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9202308/
https://www.ncbi.nlm.nih.gov/pubmed/35377648
http://dx.doi.org/10.1021/acs.jctc.2c00063

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