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

por Guo, Yujie, Zhang, Lingyu, Qu, Zexing
Publicado 2023

Mesomerism induced temperature-dependent multicomponent phosphorescence emissions in ClBDBT

por Qu, Zexing, Guo, Yujie, Zhang, Jilong, Zhou, Zhongjun
Publicado 2023

Combined Multistate and Kohn-Sham Density Functional Theory Studies of the Elusive Mechanism of N-Dealkylation of N,N-Dimethylanilines Mediated by the Biomimetic Nonheme Oxidant Fe...

por Yang, Lili, Chen, Xin, Qu, Zexing, Gao, Jiali
Publicado 2018

Minimal Active Space for Diradicals Using Multistate Density Functional Theory

por Han, Jingting, Zhao, Ruoqi, Guo, Yujie, Qu, Zexing, Gao, Jiali
Publicado 2022

A theoretical roadmap for the best oxygen reduction activity in two-dimensional transition metal tellurides

por Yang, Xin, Liu, Hanyu, Qu, Zexing, Xie, Yu, Ma, Yanming
Publicado 2022

Rational adjustment to interfacial interaction with carbonized polymer dots enabling efficient large-area perovskite light-emitting diodes

por Yang, Fan, Zeng, Qingsen, Dong, Wei, Kang, Chunyuan, Qu, Zexing, Zhao, Yue, Wei, Haotong, Zheng, Weitao, Zhang, Xiaoyu, Yang, Bai
Publicado 2023