代表性论文：
1. Zhou, H.; Zhou, Y.; Bae, H.; Leutzsch, M.; Li, Y.; De, C.; Cheng, G.-J.* and List B.* Organocatalytic stereoselective cyanosilylation of small ketones. Nature, accepted.
2. Long, J. #; Xia, S. #; Wang, T.; Cheng, G.-J.*; Fang, X.*, Nickel-Catalyzed Regiodivergent Cyanation of Allylic Alcohols: Scope, Mechanism, and Application to the Synthesis of 1,n-Dinitriles. ACS Catal. 2021, 11, 13880-13890.
3. Sun, F.#; Wang, T.#; Cheng, G.-J.*; Fang, X.* Enantioselective Nickel-Catalyzed Hydrocyanative Desymmetrization of Norbornene Derivatives. ACS Catal. 2021, 11, 7578.
4. Gao, J.#; Jiao, M.#; Ni, J.#; Yu, R.; Cheng, G.-J.*; Fang, X.* Diastereomeric Ligand-Controlled Regiodivergent Ni-Catalyzed Migratory Hydrocyanation of Internal Alkenes. Angew. Chem. Int. Ed. 2021, 60,1883.
5. Li, X.-T.; Lv, L.; Wang, T.; Gu, Q.-S. Xu, G.-X.; Li, Z.-L.; Ye, L.; Zhang, X.-H.; Cheng, G.-J.;* Liu, X.-Y.* Diastereo- and enantioselective catalytic radical oxysulfonylation of alkenes in β,γ-unsaturated ketoximes. Chem, 2020, 6, 1692-1706.
6. Xiong, B.#; Wang, T.#; Sun, H.; Li, Y.; Kramer, S.; Cheng, G.-J.*; and Lian Z.,* Nickel-Catalyzed Reductive Cross-Coupling Reactions for the Synthesis of gem-Difluorovinyl Arenes. ACS Catal. 2020. 10, 13616−13623.
7. Cheng, G.-J.; Drosos, N.; Morandi, B.;Thiel, W. Computational Study of B(C6F5)3-Catalyzed Selective Deoxygenation of 1,2-Diols. ACS Catal. 2018, 8, 1697.
8. Cheng, G.-J.; Zhang, X.; Chung, L. W.; Xu, L.; Wu, Y.-D. Computational Organic Chemistry: Bridging Theory and Experiment by Mechanistic Understanding of Chemical Reactions. J. Am. Chem. Soc. 2015, 137, 1706. (ESI highly cited paper)
9. Cheng, G.-J.; Yang, Y.-F.; Liu, P.; Chen, P.; Sun, T.-Y.; Li, G.; Zhang, X.; Houk, K. N.; Yu, J.-Q.; Wu, Y.-D. Role of N-Acyl Amino Acid Ligands in Pd(II)-Catalyzed Remote C–H Activation of Tethered Arenes. J. Am. Chem. Soc. 2014, 136, 894.
10. Yang, Y.-F.; Cheng, G.-J.; Liu, P.; Chen, P.; Zhang, X.; Yu, J.-Q.; Wu, Y.-D.; Houk, K. N. Palladium-Catalyzed Meta-Selective C–H Bond Activation with a Nitrile-Containing Template: Computational Study on Mechanism and Origins of Selectivity. J. Am. Chem. Soc. 2014, 136, 344. (co-first author)