1. Yangyang Song, Guichang Wang^*, A DFT Study and Micro-Kinetic Simulation of Propylene Partial Oxidation on CuO(111) and CuO(100) Surfaces, The Journal of Physical Chemistry C, 2016, 120, 27430-27442.

2. Yangyang Song, Guichang Wang^*, Theoretical Study of Propylene Epoxidation over Cu₂O(111) Surface: Activity of O^2-, O^-, and O₂^- Species, The Journal of Physical Chemistry C, 2018, 122, 21500-21513.

3. Yangyang Song, Bo Dong, Shiwei Wang, Zhongrui Wang, Manjie Zhang, Peng Tian, Guichang Wang, Zhen Zhao^*, Selective Oxidation of Propylene on Cu₂O(111) and Cu₂O(110) Surfaces: A Systematically DFT Study, ACS Omega., 2020, 5, 6260-6269.

4. Yangyang Song, Guichang Wang^*, Effects of Potassium on Propylene Epoxidation by Molecular Oxygen on Cu₂O (111): A DFT Study, Catalysis Science & Technology, 2022, 12, 1487-1498.

5. Zean Xie, Xiao Zhang, Jin Zhao, Lu Wang, Xiaoqiang Fan, Lian Kong, Yangyang Song^*, Zhen Zhao^*, Design and Synthesis of Vanadium-Titanium-Incorporated Mesoporous Silica Catalysts for the Oxidative Dehydrogenation of Propane, Chemistryselect, 2022, 7, e202104405.

6. Zean Xie, Xueliang Xie, Qi Shi, Minghui Zhang, Dong Li, Ke Zhang, Yangyang Song^*, Lian Kong, Xiaoqiang Fan, Xia Xiao, Zhen Zhao^*, (Zn)MgAl Hydrotalcite-Based Composite Oxide Nanostructures for Propane Dehydrogenation, ACS Applied Nano Materials, 2023, 6, 20652-20659.

7.Zhiyu Jia, Jiahui Cao, Wei Chen, Zhou Yu, Yangyang Song^*, Yuwei Dong^*, Synthesis, Crystal Structure, Fluorescence and Theoretical Calculations of Three Zn(II)/Cd(II) Complexes with Bis‑dentate N,N‑Quinoline Schiff Base, Journal of Fluorescence, 2024, 1, 1-12.

8. Yangyang Song, Fangyuan Zhao, Peng Tian, Ke Zhang, Zean Xie, Guichang Wang^*, Zhen Zhao^*, A DFT and Microkinetic Study of Propylene Selective Oxidation on Cu₂O(111) Surface with O₂: Chlorinum Effect, Chemistryselect, 2024, 9, e202401945 (1 of 10).

9. Kunrou Zhang, Yongbin Guo, Ke Zhang, Zean Xie, Linlin Mei, Xintong Wang, Wenxi Wang, Yangyang Song^*, Guichang Wang, Zhen Zhao^*, Insights into Cl Effect for Propylene Epoxidation over Ag₂O(111) Surface: A Periodic Density Functional Theory Study, Molecular Catalysis, 2024, 569, 114552.

10. Zean Xie, Xin Wang, Simeng Zhao, Ke Zhang, Yangyang Song^*, Guichang Wang^*, Zhen Zhao^*, Effect of Cu/Au for Propylene Epoxidation over Ag₂O(111) Surface: A DFT Study, Physical Chemistry Chemical Physics, 2025, 27, 4222-4233.