李春森，2007年12月毕业于厦门大学获物理化学博士学位，2008年1月至2013年10月在海外工作从事博士后研究，2013年10月入职中国科学院福建物质结构研究所任研究员、课题组长、博士生导师。开展多尺度理论计算化学研究，阐明了多种生物金属酶及人工仿酶催化剂参与的C-H键活化、N-脱烷基化、S-氧化，卤化等复杂反应的催化反应机理，为更好地理解生物酶的内在工作机制，设计创制绿色高效的人工催化剂提供理论支持。开展功能材料表界面化学机制理论计算，为深入理解半导体、胶体纳米晶材料成长及形貌机制，以及金属有机团簇、高效气敏检测材料、陶瓷电极催化材料等新型材料的表界面化学机制提供理论支持。近年来承担国家自然科学基金面上项目和重点项目（合作）、中国科学院战略先导专项B、人社部留学人员科技活动择优科研基金、福建省自然科学基金面上项目、福建省中国科学院STS项目等。于2015年入选中国科学院高层次人才计划，2021年入选福建省高层次人才B类。

1. W. Chen#, H. Xiao#, M. Y. Zhang#, C. F. Wang, J. Y. Chen, R. D. Mao, L. W. Jiang, H. Y. Hsu, M. A. Buntine, Z. P. Shao, X. Y. Yang, C. S. Li*, A. L. Rogach*, G. H. Jia*, Deciphering Surface Ligand Density of Colloidal Semiconductor Nanocrystals: Shape Matters. J. Am. Chem. Soc. 2024, 146 (42), 29104-29114.

2. J. W. Xu, J. Hao, C. J. Bu, Y. J. Meng, H. Xiao, M. Y. Zhang*, C. S. Li*, XMECP: Reaching State-of-the-Art MECP Optimization in Multiscale Complex Systems. J. Chem. Theory Comput. 2024, 20 (9), 3590-3600.

3. X. Y. Yan*, H. Xiao, J. S. Song, C. S. Li*, Unraveling the Pivotal Roles of Various Metal Ion Centers in the Catalysis of Quercetin 2,4-Dioxygenases. Molecules 2023, 28 (17), 6238.

4. H. Xiao, Y. H. Lian, S. D. Zhang, M. Y. Zhang*, J. Y. Zhang*, C. S. Li*, A Combined Theoretical and Experimental Investigation on the Photocatalytic Hydrogenation of CO on Cu/ZnO Polar Surface. Nanoscale 2023, 15 (20), 9040-9048.

5. W. H. Deng#, M. S. Yao#, M. Y. Zhang, M. Tsujimoto, K. Otake, B. Wang*, C. S. Li*, G. Xu*, S. Kitagawa*, Non-contact Real-Time Detection of Trace Nitro-Explosives by MOF Composites Visible-Light Chemiresistor. Natl. Sci. Rev. 2022, 9 (10), nwac143.

6. Q. Q. Lu, J. Gu, F. Liu*, C. S. Li*, Computational Study on Mechanisms and Origins of Selectivities in Rh(I)-Catalyzed Cycloisomerizations of 1,6-Allenynes with Tethered Unsaturated Carbon-Carbon Bonds. ACS Catal. 2021, 11 (8), 4770-4783.

7. X. Y. Yan, J. S. Song*, Q. Q. Lu, C. S. Li*, Mechanistic Insights Into the Crucial Roles of Glu76 Residue in Nickel-Dependent Quercetin 2,4-Dioxygenase for Quercetin Oxidative Degradation. J. Catal. 2020, 387, 73-83.

8. Q. Q. Lu, J. S. Song, P. Wu, C. S. Li*, W. Thiel*, Mechanistic Insights into the Directing Effect of Thr303 in Ethanol Oxidation by Cytochrome P450 2E1. ACS Catal. 2019, 9 (6), 4892-4901.

9. Y. H. Yu, Q. Q. Lu, G. Chen, C. S. Li*, X. L. Huang*, Palladium-Catalyzed Intermolecular Acylation of Aryl Diazoesters with ortho-Bromobenzaldehydes. Angew. Chem., Int. Edit. 2018, 57 (1), 319-323.

10. Q. Q. Lu, J. S. Song, M. Y. Zhang, J. Wei, C. S. Li*, A Theoretical Study on the Mechanism of Hydrogenation of Carboxylic Acids Catalyzed by the Saito Catalyst. Dalton Trans. 2018, 47 (7), 2460-2469.

11. J. Huang, C. S. Li*, B. J. Wang, D. A. Sharon, W. Wu*, S. Shaik*, Selective Chlorination of Substrates by the Halogenase SyrB2 Is Controlled by the Protein According to a Combined Quantum Mechanics/Molecular Mechanics and Molecular Dynamics Study. ACS Catal. 2016, 6 (4), 2694-2704.

12. C. S. Li, D. Danovich, S. Shaik*, Blended hydrogen atom abstraction and proton-coupled electron transfer mechanisms of closed-shell molecules. Chem. Sci. 2012, 3 (6), 1903-1918.

13. W. Z. Lai#, C. S. Li#, H. Chen, S. Shaik*, Hydrogen-Abstraction Reactivity Patterns from A to Y: The Valence Bond Way. Angew. Chem., Int. Edit. 2012, 51 (23), 5556-5578.

14. C. S. Li, L. Zhang, C. Zhang, H. Hirao, W. Wu*, S. Shaik*, Which Oxidant is Really Responsible for Sulfur Oxidation by Cytochrome P450? Angew. Chem., Int. Edit. 2007, 46 (43), 8168-8170.

15. C. S. Li, W. Wu*, D. Kumar, S. Shaik*, Kinetic Isotope Effect is a Sensitive Probe of Spin State Reactivity in C-H Hydroxylation of N,N-Dimethylaniline by Cytochrome P450. J. Am. Chem. Soc. 2006, 128 (2), 394-395.