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Benchmark Study on Phosphorescence Energies of Anthraquinone Compounds: Comparison between TDDFT and UDFT

Phosphorescent material is widely used in light-emitting devices and in the monitoring of cell phenomena. Anthraquinone compounds (AQs), as important phosphorescent materials, have potential applications as emitters for highly efficient organic light-emitting diodes (OLEDs). Therefore, the accurate...

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Detalles Bibliográficos
Autores principales: Guo, Yujie, Zhang, Lingyu, Qu, Zexing
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10096341/
https://www.ncbi.nlm.nih.gov/pubmed/37050019
http://dx.doi.org/10.3390/molecules28073257