Electronic and Vibrational Manifold of Tetracyanoethylene–Chloronaphthalene Charge Transfer Complex in Solution: Insights from TD-DFT and Ab Initio Molecular Dynamics

[Image: see text] The interplay between light absorption and the molecular environment has a central role in the observed photophysics of a wide range of photoinduced chemical and biological phenomena. The understanding of the interplay between vibrational and electronic transitions is the focus of...

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Detalles Bibliográficos
Autores principales: Coppola, Federico, Cimino, Paola, Perrella, Fulvio, Crisci, Luigi, Petrone, Alessio, Rega, Nadia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9574931/
https://www.ncbi.nlm.nih.gov/pubmed/36174118
http://dx.doi.org/10.1021/acs.jpca.2c05001

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