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Theoretical-computational modeling of charge transfer and intersystem crossing reactions in complex chemical systems

In this paper we present a theoretical-computational methodology specifically aimed at describing processes involving internal conversion or intersystem crossing, from atomistic (semiclassical) simulations and, hence, very suitable for treating complex atomic-molecular systems. The core of the prese...

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Detalles Bibliográficos
Autores principales: Amadei, Andrea, Aschi, Massimiliano
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9083445/
https://www.ncbi.nlm.nih.gov/pubmed/35542751
http://dx.doi.org/10.1039/c8ra03900c