磷光
化学
分子间力
化学物理
激发态
系统间交叉
单重态
光化学
分子
原子物理学
有机化学
物理
量子力学
荧光
作者
Qian Peng,Huili Ma,Zhigang Shuai
标识
DOI:10.1021/acs.accounts.0c00556
摘要
. Thus, we employ γ = α × β and β to describe the phosphorescence efficiency and lifetime, respectively, which have been successfully applied in the molecular design of efficient and long-lived RTP systems in experiments. The molecular descriptors outlined in this Account, which are easily obtained from simple quantum chemistry calculations, are expected to play important roles in the machine-learning-based molecular screening in the future.
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