教育及工作经历：

2004/09—2008/07   唐山师范学院，学士（导师：沈玉龙）

2008/09—2013/06   北京大学，博士（导师：吴云东）

2013/09—2014/06   北京大学深圳研究生院，助研（导师：吴云东）

2014/06—2017/12   美国加州大学洛杉矶分校（UCLA）, 博士后（导师：Kendall N. Houk）

2017/12—今      浙江工业大学，特聘教授，2018年12月评为教授

获奖情况：

1.  2013：北京大学优秀毕业生

2.  2016：美国 UCLA 博士后校长荣誉奖

3.  2017：美国化学会计算化学优秀博士后奖

4.  2020：3308维多利亚检测线路首届青年教师教学大比武的单项优秀奖

5.  2021：3308维多利亚检测线路第二届“春松杯”青年教师教学大比武的特等奖

6.  2021：浙江工业大学首届“新安杯”青年教师教学竞赛十佳青年教师

入选人才项目：

1.  2017年浙江省“千人计划”创新人才长期项目

1.  2018年国家海外高层次人才引进计划青年项目

2.  2020年浙江省高校领军人才培养计划（创新领军人才）项目

研究方向：

有机反应和金属有机反应的理论与计算研究

酶催化反应的分子动力学模拟研究

人工智能与化学

学术成果：

已发表SCI论文70余篇

本科生课程

《专业英语与文献检索》

《绿色化学实验》

博士生课程

《高等有机化学》

主持或参与的科研项目：

纵向项目

1.  国家自然科学基金重点项目，金属卟啉-卤氧铋串联催化体系的构筑及光催化还原CO₂制乙烯研究，在研，参加。

2.  浙江省高校基本科研业务费项目，铁卟啉选择性氧化芳烃苄位碳氢键研究，在研，主持。

3.  浙江省高校基本科研业务费项目，金属卟啉催化的C–H键官能团化的研究，在研，主持。

4.  国家自然科学基金面上项目，金属卟啉催化的C–H键活化/Cope重排组合反应的研究，在研，主持。

5.  国家自然科学基金青年科学基金项目，金属卟啉催化乙苯的不对称羟基化反应的机制研究，结题，主持。

横向项目

1. 企业委托项目，铂配合物磷光和圆偏振光材料的设计开发，在研，参加。

2. 重要研究单位委托项目，JG-HG-2021009，结题，参加。

3. 企业委托项目，铂配合物磷光材料的设计开发，在研，参加。

4. 企业委托项目，功能化金属纳米材料用于浓香型白酒主要风味化合物类的快速检测技术开发，在研，参加。

5. 企业委托项目，新型OLED材料的设计与合成，在研，参加。

一、期刊论文

74. Su, X.;Chen, X.; Ding, D.; She, Y.-B.*; Yang, Y.-F.* Computational Exploration of Dirhodium Complex-Catalyzed Selective Intermolecular Amination of Tertiary vs. Benzylic C−H Bonds Complexes. Molecules 2023, 28, 1928. (IF: 4.927, JCR 2区, TOP期刊)   

https://www.mdpi.com/1420-3049/28/4/1928

73. Yang, M.; Chen, X.; Su, X.; She, Y.-B.*; Yang, Y.-F.* Mechanistic Study of Chemoselectivity for Carbon Radical Hydroxylation versus Chlorination with Fe^III(OH)(Cl) Complexes. Chem Asian J. 2023, 18, e202201311. (IF: 4.839, JCR 2区)   

https://doi.org/10.1002/asia.202201311

72. Yan, X.; Yang, M.; She, Y.-B.*; Yang, Y.-F.* A theoretical study of the ligand-controlled palladium-catalysed regiodivergent synthesis of dibenzosilepin derivatives. Dalton Trans. 2023, 52, 737−746. (IF: 4.569, JCR 1区)   

https://pubs.rsc.org/en/content/articlelanding/2023/dt/d2dt03767j

71. Su, A.*; Zhang, C.; She, Y.-B.; Yang, Y.-F.* Exploring Deep Learning for Metalloporphyrins: Databases, Molecular Representations, and Model Architectures. Catalysts 2022, 12, 1485. (IF: 4.501, JCR 2区)  

https://chemrxiv.org/engage/chemrxiv/article-details/6344259d0e3c6ad0cf3bbbf1

70. Chen, L.; Li, Y.; Han, M.; Peng, Y.; Chen, X.; Xiang, S.; Gao, H.; Lu, T.; Luo, S.; Zhou, B.; Wu, H.*; Yang, Y.-F.*; Liu, Y.* P/N-Heteroleptic Cu(I)-Photosensitizer-Catalyzed [3+2] Regiospecific Annulation of Aminocyclopropanes and Functionalized Alkynes. J. Org. Chem. 2022, 87, 15571−15581. (IF: 4.198, JCR 1区, TOP期刊)

https://pubs.acs.org/doi/10.1021/acs.joc.2c02138

69. Wang, H.; Li, H. ; Chen, X. ; Zhou, C.; Li, S.;Yang, Y.-F.*; Li, G.* Asymmetric Remote meta-C–H Activation Controlled by a Chiral Ligand. ACS Catal. 2022, 12, 13435–13445. (IF: 13.7, JCR 1区, TOP期刊)

https://pubs.acs.org/doi/10.1021/acscatal.2c03187

68. Wang, Z.; Chen, X.; Hu, Y.; Li, H.; Yang, Y.-F.*; Liu, Y.; Jin, H.; Zhou, B.* Deconstructive isomerization of azetidinols via C–C bond cleavage enabled by N-heterocyclic carbene (NHC) catalysis. Chem. Commun. 2022, 58, 9294–9297. (IF: 6.065, JCR 1区, TOP期刊)

https://pubs.rsc.org/en/content/articlelanding/2022/CC/D2CC03104C

67. Li, G.*; Wen, J.; Zhan, F.; Lou, W.; Yang, Y.-F.; Hu, Y.; She, Y.-B.* Fused 6/5/6 Metallocycle-Based Tetradentate Pt(II) Emitters for Efficient Green Phosphorescent OLEDs. Inorg. Chem. 2022, 61, 11218–11231. (IF: 5.436, JCR 1区, TOP期刊)

https://pubs.acs.org/doi/10.1021/acs.inorgchem.2c01202

66. Zhang, Z.; Yang, Y.-F.*; She, Y.-B.* Computational Exploration of Dinuclear MgCo Complex-Catalyzed Ring-Opening Copolymerization of Cyclohexene Oxide and CO₂. Macromolecules 2022, 55, 5766−5774. (IF: 6.057, JCR 1区, TOP期刊)

https://pubs.acs.org/doi/10.1021/acs.macromol.2c00309

65. Pan, Y.; Ren, W.*; Zhang, Z.; Luo, F.; Hou, X.; Li, X.; Yang, Y.-F.*; Wang, Y.* Tandem 1,6-addition/cyclopropanation/rearrangement reaction of vinylogous para-quinone methides with 3-chlorooxindoles: construction of vicinal quaternary carbon centers. Org. Chem. Front. 2022, 9, 3697−3708. (IF: 5.456, JCR 1区, TOP期刊)

https://pubs.rsc.org/en/content/articlelanding/2022/QO/D2QO00471B

64. Rui, J.; Zhao, Q.; Huls, A. J.; Soler, J.; Paris, J. C.; Chen, Z.; Reshetnikov, V.; Yang, Y.-F.; Guo, Y.*; Garcia-Borràs, M.*; Huang, X.* Directed evolution of nonheme iron enzymes to access abiological radical-relay C(sp³)−H azidation. Science 2022, 376, 869−874. (IF: 63.714, JCR 1区, TOP期刊)

https://www.science.org/doi/10.1126/science.abj2830

63. Yang, M.; Liu, N.; Zhang, Z.; She, Y.-B.; Yang, Y.-F.* Ni-Catalyzed Ligand-Controlled Selective 5-Exo and 6-Endo Cyclization/Cross-Couplings Involving an Unusual 1,2-Aryl Migration. ACS Catal. 2022, 12, 4131−4140. (IF: 13.7, JCR 1区, TOP期刊)

https://pubs.acs.org/doi/10.1021/acscatal.1c05466

62. Chen, X.; Cao, C.; Yang, Y.-F.*; She, Y.-B.* Computational insights into different regioselectivities in the Ir-porphyrin-catalyzed C–H insertion reaction of quinoid carbene. Org. Chem. Front. 2022, 9, 1143−1151. (IF: 5.456, JCR 1区, TOP期刊)

https://pubs.rsc.org/en/content/articlelanding/2022/QO/D1QO01727F

61. Li, G.*; Guo, H.; Fang, X.; Yang, Y.-F.; Sun, Y.; Lou, W.; Zhang, Q.; She, Y.* Tuning the Excited State of Tetradentate Pd(II) and Pt(II) Complexes through Benzannulated N-Heteroaromatic Ring and Central Metal. Chin. J. Chem. 2022, 40, 223−234. (IF: 5.56, JCR 2区)

https://onlinelibrary.wiley.com/doi/10.1002/cjoc.202100641

60. Li, G.*; Liu, S.; Sun, Y.; Lou, W.; Yang, Y. -F.; She, Y.*. N-Heterocyclic carbene-based tetradentate platinum(II) complexes for phosphorescent OLEDs with high brightness. J. Mater. Chem. C 2021, 10, 210-218. (IF:8.067, JCR 2区, TOP期刊)

https://pubs.rsc.org/en/content/articlelanding/2022/tc/d1tc05207a

59. She, Y.*; Xu, K.; Fang, X.; Yang, Y.-F.*; Lou, W.; Hu, Y.; Zhang, Q.; Li, G.* Tetradentate Platinum(II) and Palladium(II) Complexes Containing Fused 6/6/6 or 6/6/5 Metallocycles with Azacarbazolylcarbazole-Based Ligands. Inorg. Chem. 2021, 60, 12972−12983. (IF: 5.436, JCR 1区, TOP期刊)

https://pubs.acs.org/doi/10.1021/acs.inorgchem.1c01405

58. Li, H.; Yang, M.; Jin, L.; Yang, Y.-F.*; She, Y.-B.* Mechanistic Investigation of Palladium-Catalyzed meta-C–H Bond Activation of Arenes with a Carboxyl Directing Group. J. Org. Chem. 2021, 86, 13475−13480. (IF: 4.198, JCR 2区, TOP期刊)

https://pubs.acs.org/doi/10.1021/acs.joc.1c01556

57.  Liu, N.; Chen, X.; Jin, L.; Yang, Y.-F.*; She, Y.-B.* A Mechanistic Study of the Manganese Porphyrin-Catalyzed C–H Isocyanation Reaction. Org. Chem. Front. 2021, 8, 1858−1866. (IF: 5.456, JCR 1区, TOP期刊)

https://pubs.rsc.org/en/content/articlelanding/2021/QO/D0QO01442G

56. Liang, R.-X.; Zhong, C.; Liu, Z.-H.; Yang, M.; Tang, H.-W.; Chen, J.-F.; Yang, Y.-F.^*; Jia, Y.-X.^* Enantioselective Arylation of Tetrasubstituted Enamines: Access to EnantioenrichedIndolenine and 1H-Indole Derivatives. ACS Catal. 2021, 11, 1827−1832. (IF: 13.7, JCR 1区, TOP期刊)

https://pubs.acs.org/doi/10.1021/acscatal.0c05020

55. Li, G.^*; Zheng, J.; Fang, X.; Xu, K.; Yang, Y.-F.^*; Wu, J.; Cao, L.; Li, J.; She, Y.^* N-Heterocyclic Carbene-Based Tetradentate Pd(II) Complexes for Deep-Blue Phosphorescent Materials. Organometallics 2021, 40, 472−481. (IF: 3.837, JCR 2区)

https://pubs.acs.org/doi/10.1021/acs.organomet.0c00648

54. Chen, H.^#; Shi, Q.^#; Deng, G.; Chen, X.; Yang, Y.; Lan, W.; Hu, Y.; Zhang, L.; Xu, L.; Li, C.; Zhou, C.; She, Y.; Fu, H.^* Rapid and Highly Sensitive Colorimetric Biosensor for the Detection of Glucose and Hydrogen Peroxide Based on Nanoporphyrin Combined with Bromine as a Peroxidase-Like Catalyst. Sensors & Actuators: B. Chemical. 2021, 130104. (IF: 9.221, JCR 1区, TOP期刊)

https://www.sciencedirect.com/science/article/pii/S0925400521006730

53. Amadeo, P.; Bhaskararao, B.; Yang, Y.-F.; Kozlowski, M. C.^* Inherent Selectivity of Pd C–H Activation from Different Metal Oxidation States. Organometallics 2021, 40, 2290-2294. (IF: 3.837, JCR 2区)

https://pubs.acs.org/doi/10.1021/acs.organomet.1c00011

52. Zhang, L.; Chen, J.; Chen, X.; Zheng, X.; Zhou, J.; Zhong, T.; Chen, Z.; Yang, Y.-F.; Jiang, X.^*; She, Y.-B.^*; Yu, C.^* Rh(III)-catalyzed, Hydrazine-directed C–H Functionalization with 1-alkynylcyclobutanols: A New Strategy for 1H-indazoles. Chem. Commun. 2020, 56, 7415−7418. (IF: 6.065, JCR 2区, TOP期刊)

https://pubs.rsc.org/en/content/articlelanding/2020/CC/C9CC08884A

51. Wang, K.; Wang, Q.; Wang, X.; Wang, M.; Wang, Q.; Shen, H.-M.; Yang, Y.-F.; She, Y.^* Intramolecular Hydrogen Bond-induced High Chemical Stability of Metal–Organic Frameworks. Inorg. Chem. Front. 2020, 7, 3548−3554. (IF: 7.779, JCR 1区, TOP期刊)

https://pubs.rsc.org/en/content/articlelanding/2020/QI/D0QI00772B

50. Li, G.^*; Zheng, J.; Zhao, X.; Fleetham, T.; Yang, Y.-F.^*; Wang, Q.; Zhan, F.; Zhang, W.; Fang, K.; Zhang, Q.; She, Y.^* Tuning the Excited State of Tetradentate Pd(II) Complexes for Highly Efficient Deep-Blue Phosphorescent Materials. Inorg. Chem. 2020, 59, 13502−13516. (IF: 5.436, JCR 1区, TOP期刊)

https://pubs.acs.org/doi/10.1021/acs.inorgchem.0c01907

49. Li, G.^*; Zhao, X.; Fleetham, T.; Chen, Q.; Zhan, F.; Zheng, J.; Yang, Y.-F.; Lou, W.; Yang, Y.; Fang, K.; Shao, Z.; Zhang, Q.; She, Y.^* TetradentatePlatinum(II) Complexes for Highly Efficient Phosphorescent Emitters and Sky Blue OLEDs. Chem. Mater. 2020, 32, 537−548. (IF: 10.508, JCR 1区, TOP期刊)

https://pubs.acs.org/doi/10.1021/acs.chemmater.9b04263

48. Li, G.^*; Zhan, F.; Zheng, J.; Yang, Y.-F.^*; Wang, Q.; Chen, Q.; Shen, G.; She, Y.^* Highly Efficient Phosphorescent TetradentatePlatinum(II) Complexes Containing Fused 6/5/6 Metallocycles. Inorg. Chem. 2020, 59, 3718−3729. (IF: 5.436, JCR 1区, TOP期刊)

https://pubs.acs.org/doi/10.1021/acs.inorgchem.9b03376

47. Li, G.^*; Shen, G.; Fang, X.; Yang, Y.-F.^*; Zhan, F.; Zheng, J.; Lou, W.; Zhang, Q.; She, Y.^* Phosphorescent Tetradentate Platinum(II) Complexes Containing Fused 6/5/5 or 6/5/6 Metallocycles. Inorg. Chem. 2020, 59, 18109−18121. (IF: 5.436, JCR 1区, TOP期刊)

https://pubs.acs.org/doi/10.1021/acs.inorgchem.0c02569

46. Jin, L.; Wang, Q.; Chen, X.; Liu, N.; Fang, X.; Yang, Y.-F.^*; She, Y.-B.^* Computational Studies on the Mechanism and Origin of the Different Regioselectivities of Manganese Porphyrin-Catalyzed C–H Bond Hydroxylation and Amidation of Equilenin Acetate. J. Org. Chem. 2020, 85, 14879−14889. (IF: 4.198, JCR 2区, TOP期刊)

https://pubs.acs.org/doi/10.1021/acs.joc.0c01444

45. Fang, X.; Chen, X.; Wang, Q.; Yang, Y.-F.^*; She, Y.-B.^* Understanding the Structures and Aromaticity of Heteroporphyrins with Computations. Org. Biomol. Chem. 2020, 18, 4415−4422. (IF: 3.89, JCR 2区)

https://pubs.rsc.org/en/content/articlelanding/2020/OB/D0OB00656D

44. Chen, X.; Wang, Q.; Shen, H.; Li, G.; Yang, Y.-F.^*; She, Y.-B.^*On the Mechanism and Stereoselectivity of Benzylic C–H Hydroxylation by Ru-Porphyrin: A Computational Study. Org. Biomol. Chem. 2020, 18, 346−352. (IF: 3.89, JCR 2区)

https://pubs.rsc.org/en/content/articlelanding/2020/OB/C9OB02415H

43.  Xu, L.^#; Goodarzi, M.^#; Zhang, L.; Yang, Y.-F.; Fu, H.-Y.^*; She, Y.-B.^*  Simultaneous quantitative structure-activity relationship analysis of catalyst activity and selectivity in the direct oxidation of C–H bonds. J. Chemometr. 2019, 33, e3165. (IF: 2.5, JCR 3区)

https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/cem.3165

42. Wang, Q.; Chen, X.; Li, G.; Chen, Q.; Yang, Y.-F.^*; She, Y.-B.^* Computational Exploration of Chiral Iron Porphyrin-Catalyzed Asymmetric Hydroxylation of Ethylbenzene Where Stereoselectivity Arises from π-π Stacking Interaction. J. Org. Chem. 2019, 84, 13755−13763. (IF: 4.198, JCR 2区, TOP期刊)

https://pubs.acs.org/doi/10.1021/acs.joc.9b01989

41. Nian, S.^#; Ling, F.^#; Chen, J.; Wang, Z.; Shen, H.; Yi, X.; Yang, Y.-F.; She, Y.-B.; Zhong, W.^* Highly Enantioselective Hydrogenation of Non-ortho-Substituted 2-Pyridyl Aryl Ketones via Iridium-f-Diaphos Catalysis. Org. Lett. 2019, 21, 5392−5396. (IF: 6.072, JCR 1区, TOP期刊)

https://pubs.acs.org/doi/10.1021/acs.orglett.9b01415

40.  Liu, K.; Kurukulasuriya, R.; Dykstra, K.; DiMichelle, L.; Liu, J.; Vachal, P.; Ogawa, A.; DeVita, R. J.; Shen, D.-M.; Tan, Q.; Chen, Y.; Gauthier, D.; Verras, A.; Crespo, A.; Zamlynny, B.; Madwed, J.; Hoek, M.; Bateman, T.; Yang, Y.-F.; Houk, K. N.; Krska, S.; Cernak, T.^* Development of IndazoleMineralocorticoid Receptor Antagonists and Investigation into their Selective Late-Stage Functionalization. Bioorg. Med. Chem. Lett. 2019, 29, 1854−1858. (IF: 2.94, JCR 2区)

https://www.sciencedirect.com/science/article/pii/S0960894X19302446?via%3Dihub

39. Li, G.^*; Chen, Q.;Zheng, J.; Wang, Q.; Zhan, F.; Lou, W.; Yang, Y.-F.; She, Y.^*  Metal-Assisted Delayed Fluorescent Pd(II) Complexes and Phosphorescent Pt(II) Complex Based on[1,2,4]Triazolo[4,3‑a]pyridine-Containing Ligands: Synthesis,Characterization, Electrochemistry, Photophysical Studies, and Application. Inorg. Chem. 2019,58, 14349−14360. (IF: 5.436, JCR 1区, TOP期刊)

https://pubs.acs.org/doi/10.1021/acs.inorgchem.9b01617

38. Yang, Y.-F.; She, Y.^* Computational Exploration of Pd-catalyzed C–H bond activation reactions. Int. J. Quantum. Chem. 2018, e25723. (IF: 2.437, JCR 3区)

https://onlinelibrary.wiley.com/doi/10.1002/qua.25723

37. Liao, K.; Yang, Y.-F.; Li, Y.; Sanders, J. N.; Houk, K. N.; Musaev, D. G.; Davies, H. M. L.^* Design of Catalysts for Site-Selective and Enantioselective Functionalization of non-Activated Primary C–H Bonds. Nat. Chem. 2018, 10, 1048−1055. (IF: 24.274, JCR 1区, TOP期刊)

https://www.nature.com/articles/s41557-018-0087-7?utm_source=xmol&utm_medium=affiliate&utm_content=meta&utm_campaign=DDCN_1_GL01_metadata

36. Kerisit, N.; Gawel, P.; Levandowski, B.; Yang, Y.-F.; García-López, V.; Trapp, N.; Ruhlmann, L.; Boudon, C.; Houk, K. N.^*; Diederich, F.^* A Four-Step Synthesis of Substituted 5,11-Dicyano-6,12-diaryltetracenes with Enhanced Stability and High Fluorescence Emission. Chem. Eur. J. 2018, 24, 159−168. (IF: 5.02, JCR 2区, TOP期刊)

https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/chem.201703903

35. Feng, B.; Chen, J.-R.; Yang, Y.-F.; Lu, B.; Xiao, W.-J.^* A Highly Enantioselective Copper/Phosphoramidite-Thioether-Catalyzed Diastereodivergent 1,3-Dipolar Cycloaddition of AzomethineYlides and Nitroalkenes. Chem. Eur. J. 2018, 24, 1714−1719. (IF: 5.02, JCR 2区, TOP期刊)

https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/chem.201705301

34. Bay, K. L; Yang, Y.-F.; Houk, K. N.^* Multiple Roles of Silver Salts in Palladium-Catalyzed C–H Activations. J. Organomet. Chem. 2018, 864, 19−25. (IF: 2.345, JCR 3区)

https://www.sciencedirect.com/science/article/pii/S0022328X17307179?via%3Dihub

33. Bay, K. L; Yang, Y.-F.; Houk, K. N.^* Computational Exploration of a Pd(II)-Catalyzed γ-C–H Arylation Where Stereoselectivity Arises from Attractive Aryl–Aryl Interactions. J. Org. Chem. 2018, 83, 14786−14790. (IF: 4.189, JCR 2区, TOP期刊)

https://pubs.acs.org/doi/10.1021/acs.joc.8b02416

32. Yang, Y.-F.; Yu, P.; Houk, K. N.^* Computational Exploration of Concerted and Zwitterionic Mechanisms of Diels–Alder Reactions between 1,2,3-Triazines and Enamines and Acceleration by Hydrogen-Bonding Solvents. J. Am. Chem. Soc. 2017, 139, 18213−18221. (IF: 16.383, JCR 一区, TOP期刊)

https://www.x-mol.com/paper/457656?adv

31. Yang, Y.-F.; Hong, X.; Yu, J.-Q.^*; Houk, K. N.^* Experimental–Computational Synergy for Selective Pd(II)-Catalyzed C–H Activation of Aryl and Alkyl Groups. Acc. Chem. Res. 2017, 50, 2853−2860. (IF: 24.466, JCR 一区, TOP期刊)

https://pubs.acs.org/doi/full/10.1021/acs.accounts.7b00440

30. Yang, Y.-F.; Chen, G.; Hong, X.; Yu, J.-Q.^*; Houk, K. N.^* The Origins of Dramatic Differences in Five-Membered vs Six-Membered Chelation of Pd(II) on Efficiency of C(sp³)–H Bond Activation. J. Am. Chem. Soc. 2017, 139, 8514−8521. (IF: 16.383, JCR 一区, TOP期刊)

https://pubs.acs.org/doi/10.1021/jacs.7b01801

29. Toutov, A. A.; Salata, M.; Fedorov, A.; Yang, Y.-F.; Liang, Y.; Cariou, R.; Betz, K. N.; Couzijn, E. P. A.; Shabaker, J. W.^*; Houk, K. N.^*; Grubbs, R. H.^* A Potassium tert-Butoxide and HydrosilaneSystem for Ultra-deep Desulfurization of Fuels. Nat. Energy. 2017, 2, 17008. (IF: 67.439, JCR 一区, TOP期刊)

https://www.nature.com/articles/nenergy20178?utm_source=xmol&utm_medium=affiliate&utm_content=meta&utm_campaign=DDCN_1_GL01_metadata

28. Liu, W.-B.^#; Schuman, D. P.^#; Yang, Y.-F.^#;Toutov, A. A.; Liang, Y.; Klare, H.; Nesnas, N.; Oestreich, M.; Blackmond, D. G.; Virgil, S. C.; Banerjee, S.; Zare, R. N.; Grubbs, R. H.; Houk, K. N.^*; Stoltz, B. M.^* Potassium tert-Butoxide-Catalyzed Dehydrogenative C–H Silylation of Heteroaromatics: A Combined Experimental and Computational Mechanistic Study. J. Am. Chem. Soc. 2017, 139, 6867−6879. (IF: 16.383, JCR 一区, TOP期刊)

https://pubs.acs.org/doi/10.1021/jacs.6b13031

27. Li, Y.^#; Shan, C.^#; Yang, Y.-F.; Shi, F.; Qi, X.; Houk, K. N.^*; Lan, Y.^* Mechanism, Regio-, and Diastereoselectivity of Rh(III)-Catalyzed Cyclization Reactions of N-Arylnitrones with Alkynes: A Density Functional Theory Study.  J. Phys. Chem. A. 2017, 121, 4496−4504. (IF: 2.944, JCR 三区)

https://pubs.acs.org/doi/10.1021/acs.jpca.7b01020

26. Hill, D. E.; Bay, K. L.; Yang, Y.-F.; Plata, R. E.; Takise, R.; Houk, K. N.; Yu, J.-Q.; Blackmond, D. G.^* Dynamic Ligand Exchange as a Mechanistic Probe in Pd-Catalyzed Enantioselective C−H Functionalization Reactions Using Monoprotected Amino Acid Ligands. J. Am. Chem. Soc. 2017, 139, 18500−18503. (IF: 16.383, JCR 一区, TOP期刊)

https://pubs.acs.org/doi/10.1021/jacs.7b11962

25. Dziedzic, R. M.; Martin, J. L.; Axtell, J. C.; Saleh, L. M. A.; Ong, T.-C.; Yang, Y.-F.; Messina, M. S.; Rheingold, A. L.; Houk, K. N.; Spokoyny, A. M.^* Cage-Walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane. J. Am. Chem. Soc. 2017, 139, 7729−7732. (IF: 16.383, JCR 一区, TOP期刊)

https://www.x-mol.com/paper/273806?adv

24. Ben Halima, T.; Zhang, W.; Yalaoui, I.; Hong, X.; Yang, Y.-F.; Houk, K. N.^*; Newman, S. G.^* Palladium-Catalyzed Suzuki–Miyaura Coupling of Aryl Esters. J. Am. Chem. Soc. 2017, 139, 1311−1318. (IF: 16.383, JCR 一区, TOP期刊)

https://pubs.acs.org/doi/10.1021/jacs.6b12329

23. Banerjee, S.^#; Yang, Y.-F.^#; Jenkins, I. D.^#; Liang, Y.; Toutov, A. A.; Liu, W.-B.; Schuman, D. P.; Grubbs, R. H; Stoltz, B. M.; Krenske, E. H.^*; Houk, K. N.^*; Zare, R. N.^* Ionic and Neutral Mechanisms for C–H Bond Silylation of Aromatic Heterocycles Catalyzed by Potassium t-Butoxide. J. Am. Chem. Soc. 2017, 139, 6880−6887. (IF: 16.383, JCR 一区, TOP期刊)

https://pubs.acs.org/doi/10.1021/jacs.6b13032

22. Yang, Y.-F.; Liang, Y.; Liu, F.; Houk, K. N.^* Diels–Alder Reactivities of Benzene, Pyridine, and Di-, Tri-, and Tetrazines: The Roles of Geometrical Distortions and Orbital Interactions. J. Am. Chem. Soc. 2016, 138, 1660−1667. (IF: 16.383, JCR 一区, TOP期刊)

https://pubs.acs.org/doi/10.1021/jacs.5b12054

21. Yang, Y.-F.; Houk, K. N.^*; Wu, Y.-D.^* Computational Exploration of Rh^III/Rh^V and Rh^III/Rh^I Catalysis in Rhodium(III)-Catalyzed C–H Activation Reactions of N-Phenoxyacetamides with Alkynes. J. Am. Chem. Soc. 2016, 138, 6861−6868. (IF: 16.383, JCR 一区, TOP期刊)

https://pubs.acs.org/doi/10.1021/jacs.6b03424

20. Liu, L.^#; Zhang, T.^#; Yang, Y.-F.; Zhang-Negrerie, D.; Zhang, X.; Du, Y.^*; Wu, Y.-D.^*; Zhao, K.^* Metal-Free Synthesis of 3-Arylquinolin-2-ones from Acrylic Amides via a Highly Regioselective 1,2-Aryl Migration: An Experimental and Computational Study. J. Org. Chem. 2016, 81, 4058−4065. (IF: 4.189, JCR 二区, TOP期刊)

https://pubs.acs.org/doi/full/10.1021/acs.joc.6b00345

19.  Hie, L.; Fine Nathel, N. F.; Hong, X.; Yang, Y.-F.; Houk, K. N.^*; Garg, N. K.^* Nickel-Catalyzed Activation of Acyl C−O Bonds of Methyl Esters. Angew. Chem. Int. Ed. 2016, 55, 2810−2814. (IF: 16.823, JCR 一区, TOP期刊)

https://onlinelibrary.wiley.com/doi/10.1002/ange.201511486

18. Garg, N.; Houk, K. N.; Baker, E. L.; Nathel, N. F.; Hie, L.; Hong, X.; Liu, P.; Shah, T. K.; Yang, Y.-F. Conversion of Amides into Esters by the Nickel-Catalyzed Activation of Amide C-N Bonds. Nature. 2015, 524, 79–83 . (IF: 69.504, JCR 一区，TOP期刊)

https://www.nature.com/articles/nature14615

17. Chen, G.^#; Gong, W.^#; Zhuang, Z.; Andrä, M. S.; Chen, Y.-Q.; Hong, X.; Yang, Y.-F.; Liu, T.; Houk, K. N.^*; Yu, J.-Q.^* Ligand-Accelerated Enantioselective Methylene C(sp³)–H bond Activation. Science 2016, 353, 1023−1027. (IF: 63.714, JCR 一区, TOP期刊)

https://www.science.org/doi/10.1126/science.aaf4434

16. Walton, M. C.; Yang, Y.-F.; Hong, X.^*; Houk, K. N.^*; Overman, L. E. Ligand-Controlled Diastereoselective 1,3-Dipolar Cycloadditions of AzomethineYlides with Methacrylonitrile. Org. Lett. 2015, 17, 6166−6169. (IF: 6.072, JCR 一区, TOP期刊)

https://pubs.acs.org/doi/full/10.1021/acs.orglett.5b03171

15. Narayan, A. R. H.; Jiménez-Osés, G.; Liu, P.; Negretti, S.; Zhao, W.; Gilbert, M. M.; Ramabhadran, R. O.; Yang, Y.-F.; Furan, L. R.; Li, Z.; Podust, L. M.; Montgomery, J.^*; Houk, K. N.^*; Sherman, D. H.^* Enzymatic Hydroxylation of AnUnactivated Methylene C–H Bond Guided by Molecular Dynamics Simulations. Nat. Chem. 2015, 7, 653−660. (IF: 24.274, JCR 一区, TOP期刊)

https://www.nature.com/articles/nchem.2285?utm_source=xmol&utm_medium=affiliate&utm_content=meta&utm_campaign=DDCN_1_GL01_metadata

14. McMahon, T. C.^#; Medina, J. M.^#; Yang, Y.-F.; Simmons, B. J.; Houk, K. N.^*; Garg, N. K.^* Generation and Regioselective Trapping of a 3,4-Piperidyne for the Synthesis of Functionalized Heterocycles. J. Am. Chem. Soc. 2015, 137, 4082−4085. (IF: 16.383, JCR 一区, TOP期刊)

https://pubs.acs.org/doi/10.1021/jacs.5b01589

13. Hong, X.; Wang, J.; Yang, Y.-F.; He, L.; Ho, C.-Y.^*; Houk, K. N.^* Computational Exploration of Mechanism and Selectivities of (NHC)Nickel(II)hydride-Catalyzed Hydroalkenylations of Styrene with α-Olefins. ACS Catal. 2015, 5, 5545−5555. (IF: 13.7, JCR 一区, TOP期刊)

https://pubs.acs.org/doi/full/10.1021/acscatal.5b01075

12. Hie, L.; Fine Nathel, N. F.; Shah, T. K.; Baker, E. L.; Hong, X.; Yang, Y.-F.; Liu, P.; Houk, K. N.^*; Garg, N. K.^* Conversion of Amides to Esters by the Nickel-Catalysed Activation of Amide C-N Bonds. Nature 2015, 524, 79−83. (IF: 69.504, JCR 一区, TOP期刊)

https://www.nature.com/articles/nature14615

11. Yang, Y.-F.; Chung, L. W.^*; Zhang, X.; Houk, K. N.^*; Wu, Y.-D.^* Ligand-Controlled Reactivity, Selectivity and Mechanism of Cationic Ruthenium-Catalyzed Hydrosilylations of Alkynes, Ketones and Nitriles: A Theoretical Study. J. Org. Chem. 2014, 79, 8856−8864. (IF: 4.189, JCR 二区, TOP期刊)

https://pubs.acs.org/doi/full/10.1021/jo501730n

10.  Yang, Y.-F.^#; Cheng, G.-J.^#; Liu, P.; Leow, D.; Sun, T.-Y.; 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, 344−355. (IF: 16.383, JCR 一区, TOP期刊)

https://pubs.acs.org/doi/10.1021/ja410485g

9.  Sun, H.; Wang, C.; Yang, Y.-F.; Chen, P.; Wu, Y.-D.^*; Zhang, X.^*; Huang, Y.^* Synthesis of indolo[2,1-a]isoquinolines via A Triazene Directed C–H Annulation Cascade. J. Org. Chem. 2014, 79, 11863−11872. (IF: 4.189, JCR 二区, TOP期刊)

https://pubs.acs.org/doi/full/10.1021/jo500807d

8.   Hong, X.^#; Küçük, H. B.^#; Maji, M. S.; Yang, Y.-F.; Rueping, M.^*; Houk, K. N.^* Mechanism and Selectivity of N-Triflylphosphoramide Catalyzed (3⁺+2) Cycloaddition between Hydrazones and Alkenes. J. Am. Chem. Soc. 2014, 136, 13769−13780. (IF: 16.383, JCR 一区, TOP期刊)

https://pubs.acs.org/doi/10.1021/ja506660c

7.  Duan, P.; Yang, Y.-F.; Zhang, X.; Ben, R.; Yan, Y.; Dai, L.; Hong, M.; Wang, D.^*; Wu, Y.-D.^*; Zhao, J.^* Palladium-Catalyzed Benzo[d]isoxazole Synthesis by C–H Activation/[4+1] Annulation. Chem. Sci. 2014, 5, 1574−1578. (IF: 9.969, JCR 一区, TOP期刊)

https://pubs.rsc.org/en/content/articlelanding/2014/SC/C3SC53228C

6.   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 on Pd(II)-Catalyzed Remote C–H Activation of Tethered Arenes. J. Am. Chem. Soc. 2014, 136, 894−897. (IF: 16.383, JCR 一区, TOP期刊)

https://pubs.acs.org/doi/10.1021/ja411683n

5.    Cheng, G.-J.; Song, L.-J.; Yang, Y.-F.; Zhang, X.^*; Wiest, O.^*; Wu, Y.-D.^* Computational Studies on the Mechanism of the Copper-Catalyzed sp³-C–H Cross-Dehydrogenative Coupling Reaction. ChemPlusChem 2013, 78, 943−951. (IF: 3.21, JCR 三区)

https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/cplu.201300117

4.   Yang, Y.-F.; Cheng, G.-J.; Zhu, J.; Zhang, X.^*; Inoue, S.^*; Wu, Y.-D.^* Silicon-Containing Formal 4pi-Electron Four-Membered Ring Systems: Antiaromatic, Aromatic, or Nonaromatic? Chem. Eur. J. 2012, 18, 7516−7524.  (IF: 5.02, JCR 二区, TOP期刊)

https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/chem.201103443

3.   Yang, Y.-F.; Shi, T.; Zhang, X.-H.; Tang, Z.-X.; Wen, Z.-Y.; Quan, J.-M.; Wu, Y.-D.^* Theoretical Studies on the Mechanism and Stereoselectivity of Rh(Phebox)-Catalyzed Asymmetric Reductive Aldol Reaction. Org. &Biomol. Chem. 2011, 9, 5845−5855. (IF: 3.89, JCR 二区)

https://pubs.rsc.org/en/content/articlelanding/2011/ob/c1ob05501a

2.   Liang, Y.; Wang, L.; Zhu, R.; Deng, L.; Yang, Y-F.; Quan, J.^*; Chen, J.^*; Yang, Z.^* An Unprecedented Silver Salt Effect Switches the Facial Selectivity in the VinylogousMukaiyama Aldol Reaction. Adv. Synth. Catal. 2010, 352, 2387−2393. (IF: 5.981, JCR 二区)

https://onlinelibrary.wiley.com/doi/10.1002/adsc.201000420

1.  Che, C.; Liu, L.; Gong, J.; Yang, Y.-F.; Wang, G.; Quan, J.^*; Yang, Z.^* Construction of All-Carbon Quaternary Center by R₂AlCl−Mediated Ring-Opening Reaction of Oxacycles. Org. Lett. 2010, 12, 488−491. (IF: 6.072, JCR 一区, TOP期刊)

https://pubs.acs.org/doi/full/10.1021/ol902685h

二、发明专利

5.  杨云芳；豆利杰；王霞；佘远斌；李贵杰；组合物、制剂、有机电致发光器件及显示或照明装置, 2022-10-11.

4.  杨云芳；张成瑶；王霞；佘远斌；李贵杰；配合物、组合物、有机电致发光器件及显示或照明装置, 2022-10-11.

3.  杨云芳；王霞；佘远斌；李贵杰；一种含有咔唑类衍生物的N^N^C^N四齿铂(II)配合物及其应用, 2022-04-24.

2.  杨云芳；周春松；李贵杰；杨云芳；房晓莉；佘远斌；基于二氟化硼配位的扩环卟啉配合物的近红外发光材料, 2020-06- 28.

1.  佘远斌；陈启东；杨云芳；汪群敏；李贵杰；一种含有[1,2,4]三唑[4,3-a]吡啶结构单元的金属配合物及应用，2019-05-10.

三、著作章节

Houk, K. N.; Liu, F.; Yang, Y.-F.; Hong, X. Applied Theoretical Organic Chemistry, Chapter 13: The Distortion/Interaction Model for Analysis of Activation Energies of Organic Reactions. World Scientific Publishing Europe Ltd. 2018: 371−402.

https://www.worldscientific.com/doi/abs/10.1142/9781786344090_0013