Zexing Qu

29PUBLICATIONS
31CO-AUTHORS
Catalysis and mechanisms of reactionsPhotochemistryData structures and algorithmsChemical and thermal processes in energy and combustionTheoretical quantum chemistry
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Publications (29)

|Jan 16, 2026
Theoretical investigation of the excited-state dynamics in the CH4 + O(3P) → CH3 + OH reaction.

Haohan Xie, Zexing Qu, Huiling Liu

|Dec 09, 2025
The Mechanism of Photocatalytic C(sp3)-H Activation by Decatungstate Anion: CPET or HAT?

Zhongjun Zhou, Qixuan Ye, Ronglin Zhong

|Nov 28, 2025
Machine Learned Fock Matrix.

Hongcai Liu, Shuai Guan, Zhuofan Wang

|Oct 18, 2025
Machine Learning-Based Excited-State Reactive Force Field: A New Approach for Modeling the Photodissociation Dynamics of 2-Fluorothiophenol.

Xinyu Huang, Zhongjun Zhou, Huajie Song

|Aug 11, 2025
A direct diabatic states construction method with consistent orbitals for valence and Rydberg states.

Jiamin Jin, Zexing Qu, Chungen Liu

|Aug 06, 2025
Triple-T Method for Modeling Plasma-Assisted Ignition with Rich Vibrationally Excited States.

Yifan Qiu, Yifei Zhu, Zexing Qu

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