Qi Zhang

Mechanism of H2 generation on the unsaturated Mo and S of Mo-Edge in 2H-MoS2 from density functional theory

C. Kong, Bohan Wu, Zhiyuan Geng, 2019, Computational and Theoretical Chemistry.

Theoretical Perspectives on the Gas-Phase Oxidation Mechanism and Kinetics of Carbazole Initiated by OH Radical in the Atmosphere

Fei Xu, Xianwei Zhao, Yanhui Sun, 2022, Atmosphere.

The Homogeneous Gas-Phase Formation Mechanism of PCNs from Cross-Condensation of Phenoxy Radical with 2-CPR and 3-CPR: A Theoretical Mechanistic and Kinetic Study

Fei Xu, Yanhui Sun, ShuMing He, 2022, International journal of molecular sciences.

HONO Formation from the Oxidation Reactions of ClO, NO, and Water in the Gas-Phase and at the Air-Water Interface

Fei Xu, Xianwei Zhao, Yanhui Sun, 2022, Atmosphere.

Full-nitro-nitroamino cooperative action: Climbing the energy peak of benzenes with enhanced chemical stability

S. Pang, Shenghua Li, Chaofeng Zhao, 2022, Science advances.

Theoretical research on the effect of Eosin Y adsorption action on Ru4 and Pt4 clusters on the hydrogen evolution performance

C. Kong, Bohan Wu, Lijie Hou, 2018, Computational and Theoretical Chemistry.

Photoaging of phenolic secondary organic aerosol in the aqueous phase: evolution of chemical and optical properties and effects of oxidants

C. Anastasio, Wenqing Jiang, Christopher R. Niedek, 2023, Atmospheric Chemistry and Physics.

Effect of Water Molecule on the Complete Series Reactions of Chlorothiobenzenes with H/·OH: A Theoretical Study

Fei Xu, Yanhui Sun, M. H. Hadizadeh, 2022, Atmosphere.