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A first principles examination of phosphorescence

This paper explores phosphorescence from a first principles standpoint, and examines the intricacies involved in calculating the spin-forbidden T(1) → S(0) transition dipole moment, to highlight that the mechanism is not as complicated to compute as it seems. Using gas phase acridine as a case study...

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Detalles Bibliográficos
Autores principales: Manian, Anjay, Lyskov, Igor, Shaw, Robert A., Russo, Salvy P.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9450115/
https://www.ncbi.nlm.nih.gov/pubmed/36199319
http://dx.doi.org/10.1039/d2ra03447f