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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Bibliographic Details

Published in:	Molecules
Main Authors:	Yujie Guo, Lingyu Zhang, Zexing Qu
Format:	Article
Language:	English
Published:	MDPI AG 2023-04-01
Subjects:	phosphorescence energies time-dependent density functional theory (TDDFT) anthraquinone
Online Access:	https://www.mdpi.com/1420-3049/28/7/3257