基本信息
李春森男博导中国科学院福建物质结构研究所
电子邮件： chunsen.li@fjirsm.ac.cn
通信地址： 福建省福州市鼓楼区杨桥西路155号
邮政编码： 350002

研究领域

生物体系酶催化反应机理的理论与计算研究、化学反应中的价键理论模拟以及其它相关复杂体系化学问题的理论化学研究，包括分子动力学模拟，化学反应的QM/MM和QM计算等，涉及量子化学、生物化学、药物化学等学科领域。



招生信息
招生专业070304-物理化学

招生方向理论与计算化学


教育背景2004-09--2007-12厦门大学博士
2001-09--2004-07厦门大学硕士
1997-09--2001-07厦门大学学士


工作经历2013-10~至今,中科院福建物质结构研究所,研究员
2010-12~2013-10,以色列希伯来大学,博士后
2008-01~2010-12,德国马普学会煤研究所,博士后

教授课程

发表论文


1. Liang, M. J.; Zhang, M. Y.; Yu, S. S.; Wu, Q.; Ma, K.; Chen, Y. Y.; Liu, X. Q.; Li, C. S.*; Wang, F.* “Silver-Laden Black Phosphorus Nanosheets for an Efficient In Vivo Antimicrobial Application” Small 2020.
2. Yu, Y. H.; Chakraborty P.; Song, J. S.; Zhu, L.; Li, C. S.*; Huang, X. L.* “Easy access to medium-sized lactons through metal carbene migratory insertion enabled 1,4-palladium shift” Nature Communications 2020, 11, 461.
3. Pang, Y. P.+; Zhang, M. Y.+; Chen, D. C.; Chen, W.; Wang, F.; Anwar S. J.; Saunders, M.; Rowles, M. R.; Liu, L. H.; Liu, S. M.; Sitt, A.*; Li, C. S.*; Jia, G. H.* "Why Do Colloidal Wurtzite Semiconductor Nanoplatelets Have an Atomically Uniform Thickness of Eight Monolayers" J. Phys. Chem. Lett. 2019, 10, 3465-3471.
4. Lu, Q. Q.; Song, J. S.; Wu, P.; Li, C. S. *; Thiel, W. * "Mechanistic Insights into the Directing Effect of Thr303 in Ethanol Oxidation by Cytochrome P450 2E1" ACS Catal. 2019. 9, 4892-4901.
5. Zhou, H.; Ge, L.; Song, J. S.; Jian W. J.; Li, Y. J.; Li, C. S.*; Bao, H. L.* "HOTF-Catalyzed Alkyl-Heck-Type Reaction" iScience 2018, 3, 255-263.
6. Kong X. W.; Song, J. S.; Liu, J.; Meng, M.; Yang, S.; Zeng, M.; Li, C. S.*; Fang, X. Q.* "Bronsted base-catalyzed annulation of allyl ketones and alkynyl 1,2-diketones" Chem. Commun. 2018. 54, 4266-4269.
7. Lu, Q. Q.; Song, J. S.; Zhang, M. Y.; Wei, J.; Li, C. S.* "Theoretical study on the mechanism of hydrogenation of carboxylic acids catalyzed by the Saito catalyst" Dalton Trans. 2018. 47(7), 2460-2469.
8. Yu, Y. H.; Lu, Q. Q.; Chen, G.; Li, C. S.*; Huang, X. L.* "Palladium-Catalyzed Intermolecular Acylation of Aryldiazoesters with ortho-Bromobenzaldenhydes" Angew. Chem. Int. Ed. 2018, 57,319-323.
9. Liu, B. W.+; Zhang, M. Y.+; Jiang, X. M.*; Li, S. F.; Zeng, H. Y.; Wang, G. Q.; Fan, Y. H.; Su, Y. F.; Li, C. S.*; Guo, G. C.*; Huang, J. S. "Large Second-Harmonic Generation Responses Achieved by the Dimeric [Ge2Se4(μ-Se2)]4- Functional Motif in Polar Polyselenides A4Ge4Se12 (A=Rb,Cs)" Chem. Mater. 2017, 29, 9200-9207.
10. Liao, Y.; Lu, Q. Q.; Chen, G.; Yu, Y. H.; Li, C. S.*; Huang, X. L.* "Rhodium-Catalyzed Azide-Alkyne Cycloaddition of Internal Ynamides: Regioselective Assembly of 5-Amino-triazoles under Mild Conditions" ACS Catal. 2017, 7, 7529-7534.
11. Zhang, M. Y.; Song, J. S.; Lu, Q. Q.; Wei, J.; Wu, P.; Li, C. S.* "Beryllium and Boron decoration form planar tetracoordinate carbon strips at the edge of BCN nanoribbons result in energy gap opposite variation and third-order nonlinear optical response improvement", Chem. Phys. Lett. 2017, 685, 432-437.
12. Dai, W.*; Shang, S. S.; Lv, Y.; Li, G. S.; Li, C. S.*; Gao, S.* "Highly Chemoselective and Enantioselective Catalytic Oxidation of Heteroaromatic Sulfides via High-Valent Manganese(IV)-Oxo Cation Radical Oxidizing Intermediates", ACS Catal. 2017, 7, 4890-4895.
13. Ye, L. T.+; Zhang, M. Y.+; Huang, P.; Guo, G. C.; Hong, M. C.; Li, C. S.*; Irvine, J. T. S.*; Xie, K.* "Enhancing CO2 electrolysis through synergistic control of non-stoichiometry and doping to tune cathode surface structures", Nature Communications 2017, 8, 14785.
14. Huang, J.; Li, C. S.*; Wang, B. J.; Sharon, D. A.; Wu, W.*; Shaik, S.* "Selective Chlorination of Substrates by Halogenase SyrB2 is Controlled by the Protein According to a Combined Quantum Mechanics/Molecular Mechanics and Molecular Dynamics Study", ACS Catal. 2016, 6, 2694-2704.
15. Chen, G.; Song, J. S.; Yu, Y. H.; Luo, X. S.; Li, C. S.*; Huang, X. L.* "Aminofluorination: transition-metal-free N-F bond insertion of diazocarbonyl compounds", Chem. Sci. 2016, 7, 1786-1790.
16. Wang, Y.; Song, J. S.; Ma, X.; Xue, Z. Z.; Hu S. M.; Fu, R. B.; Li, C. S.*; Sheng, T. L.*; Wu, X. T. "Synthesis, Crystal Structure and MMCT of New Cyanide-bridged Complexes cis-MII(dppm)2(CN)2(FeIIIX3)2(M=Ru, Os)", RSC Adv. 2015, 5, 3399-3407.
17. Li, C. S.; Shaik, S.* "How Do Perfluorinated Alkanoic Acids Elicit Cytochrome P450 to Catalyze Methane Hydroxylation? An MD and QM/MM Study", RSC Adv. 2013, 3, 2995-3005.
18. Lai, W. Z.+; Li, C. S.+; Chen, H.; Shaik, S.* "Hydrogen-Abstraction Reactivity Patterns from A to Y: The Valence Bond Way", Angew. Chem. Int. Ed. 2012, 51, 5556-5578.
19. Li, C. S.; Danovich, D.; Shaik, S.* "Blended Hydrogen Atom Abstraction and Proton-Coupled Electron Transfer Mechanisms of Closed-Shell Molecules", Chem. Sci. 2012, 3, 1903-1918.
20. Li, C. S.; Wu, W.*; Cho, K.-B.; Shaik, S.* "Oxidation of Tertiary Amines by Cytochrome P450-Kinetic Isotope Effect as a Spin-State Reactivity Probe", Chem. Eur. J. 2009, 15, 8492-8503.
21. Li, C. S.; Zhang, L. X.; Zhang, C.; Hirao, H.; Wu, W.*; Shaik, S.* "Which Oxidant Is Really Responsible for Sulfur Oxidation by Cytochrome P450?", Angew. Chem. Int. Ed. 2007, 46, 8168-8170.
22. Li, C. S.; Wu, W.*; Kumar, D.; Shaik, S.* "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, 394-395.






科研活动
科研项目（ 1 ） 中国科学院海西研究院****, 主持,市地级,2013-10--2016-12
（ 2 ） 单核铁酶催化反应机制的多尺度理论计算化学研究, 主持,省级,2015-04--2018-04
（ 3 ） 单核铁加氧酶催化反应机制的理论研究, 主持,国家级,2016-01--2019-12
（ 4 ） 生物金属酶的多尺度理论化学研究, 主持,研究所（学校）,2016-01--2017-12
（ 5 ） 中国科学院"****", 主持,部委级,2016-01--2018-12
（ 6 ） 2016年中国科学院战略性科技先导专项（B类）结构与功能导向的新物质创制, 参与,部委级,2016-06--2020-12
（ 7 ） 碳基小分子催化定向转化及外场与表界面效应的多尺度全程模拟研究, 参与,国家级,2020-01--2024-12

参与会议（1）Mechanistic Insights into the Directing Effect of Thr303 in Ethanol Oxidation byCytochrome P4502E1第八届海峡两岸理论与计算化学会议2019-12-06
（2）QM/MM and MD Studies on the Selective Reaction Pathways of P450cam and SyrB2第七届海峡两岸理论化学与计算会议2016-10-14
（3）细胞色素P450酶活性氧化剂及其催化反应的理论研究第六届海峡两岸理论与计算化学会议李春森2015-01-26
（4）细胞色素P450酶催化反应的理论计算研究第十二届全国量子化学会议李春森2014-06-12


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