南方科技大学化学系钟龙华

wawa

钟龙华

副教授

化学系

0755-88018320

oscarchung@sustc.edu.cn

研究方向

多尺度多参考态模拟复杂体系(MMSCS)

钟龙华博士(博导，独立课题组组长)，分别在00、03和06年获得香港科技大学一级荣誉学士、硕士和博士学位，师从吴云东院士，研究金属催化有机反应机理。06-13年到京都大学福井謙一記念研究中心諸熊奎治(Keiji Morokuma)教授组，采用多尺度模拟方法研究复杂生物体系，指导东京大学研究生与諸熊研究组博士后。13年10月起加入南方科技大学化学系，成立多尺度多参考态模拟复杂体系实验室，从事研究复杂生物化学, 生物物理和有机化学体系。包括生物催化反应，光化学与光生物，可持续化学，和新模拟方法的发展及应用。同时加入生物系生物信息、系统学及定量生物学团队。

在国外期刊上发表37篇SCI论文(包括1篇Chem. Rev. 1篇Acc. Chem. Res. 12篇J. Am. Chem. Soc. （5篇第一或通讯作者），1篇Wiley跨学科综述(IF:11.9)，2篇Angew. Chem. Int. Ed.，1篇Chem. Sci.和2篇ACS Catal)和3篇Wiley书籍章节；3篇论文被RIKEN Research, Curr. Opin. Chem. Biol., Nature China和 X-MOL亮点。ISI引用超1000次，H-index: 20。

在炔烃插入反应（吴-Trost机理）、色氨酸双加氧酶、萤火虫发光机理和荧光蛋白等研究中，提出了新的反应机理，其中两个反应机理被Hartwig教授的《Organotransition Metal Chemistry》教科书和Roberts教授的《Encyclopediaof Biophysics》收录与讨论。13年11月被邀请到第四届亚洲配位化学会议做邀请报告。

1. 2014	深圳市海外高层次人才“孔雀计划” B类人才入选者
2. 2006-2010	FIFC Fellowship
3. 硕士 & 博士	Postgraduate Studentship
4. 2000	香港科技大學學業成就獎
5. 1997-2000	Swire University Scholarship
6. 1997-2000	Dean's List (Fall & Spring)

1. 2016-2020           孔雀团队, 深圳市科技创新委员会

                       (核心成员, 整个团队经费为RMB 30,000,000)

2.2015-2016            面上项目, 国家自然科学基金

                       (PI, RMB 400,000)

3.2015-2017            深圳市政府启动经费

                       (PI, RMB 3,000,000)

4. 2015-                南方科技大学启动配套经费

                       (PI, RMB 1,000,000)

5.2006-2010            Fukui Fellowship, KyotoUniversity         

                       (PI, 800,000 Yen/year)

37. Nakano, R.; Chung, L. W.;Watanabe, Y.; Okuno, Y.; Okumura, Y.; Ito, S.; Morokuma,

K.;* Nozaki, K.* “Elucidatingthe Key Role of Phosphine Sulfonate Ligands in

Palladium-Catalyzed EthylenePolymerization: Effect of Ligand 3 Structure on the Molecular Weight andLinearity of Polyethylene", ACS Catal. 2016, 6,6106. (citations: 0)

36. Chen, C.; Wang, H.; Zhang, Z.; Jin, S.;Wen, S.; Ji, J.; Chung, L W. Dong, X.-Q.; Zhang, X.“Ferrocenylchiral bisphosphorus ligands for highly enantioselective asymmetrichydrogenation via the noncovalent ion pair interaction", Chem.Sci. 2016, DOI:  10.1039/C6SC01845A. (citations: 0)

35. Zhang, X.;* Chung, L. W.;*Wu, Y.-D.* “New Mechanistic Insights on the Selectivity of TransitionMetal-catalyzed Organic Reactions: the Role of ComputationalChemistry", Acc. Chem. Res. 2016, 49,1302. (citations: 0)

34. Tan, X.; Wang, G.; Zhu, Z.; Ren, C.;Zhou, J.; Lv, H.; Zhang, X.; Chung, L. W.;* Zhang, L.;* Zhang, X.* “Hydrogenationof Aldehydes Catalyzed by an Available Ruthenium Complex", Org.Lett.. 2016, 18, 1518.

33. Xu, L.; Chung, L. W.;* Wu,Y.-D. “Mechanism of Ni-NHC Catalyzed Hydrogenolysis of Aryl Ethers: TheRoles of the Excess Base", ACS Catal. 2016, 6,483. (citations: 0)

32. Chung, L.W.; Sameera,W. M. C.; Ramozzi, R.; Page, A. J.; Hatanaka, M.; Petrova, G. P.; Harris, T.V.; Li, X.; Ke, Z.; Liu, F.; Li, H.-B.; Ding, L. Morokuma, K.*; “The ONOIMMethod and its Applications”, Chem. Rev. 2015,115, 5678. (invitedfor a special issue: “Calculations on Large Systems"; "Most ReadArticles", May 2015).(citations: 21)

Comments from the reviewers: “This is a master pièce of a review”; “It iscertainly going to be one of the most visible review in the domain ofcomputational chemistry.”; “It's a major achievement to complete such a work.”; “thismajestic review”

31. Ding, S.; Song, L.-J.; Wang, Y.; Zhang,X.;* Chung, L. W.;* Wu, Y.-D.;* Sun, J.* “HighlyRegio- and Stereoselective Hydrosilylation of Internal Thioalkynes Under MildConditions”, Angew. Chem. Int. Ed. 2015,54,5632. (citations: 1)

30. Cheng, G.-J.; Zhang, X.; Chung,L. W.; Xu, L.; Wu, Y.-D.* “Computational Organic Chemistry: Bridging Theory and Experiment inEstablishing the Mechanisms of Chemical Reactions", J. Am. Chem.Soc. (Perspective) 2015, 137, 1706. (citations:24)

29. Yang, Y.; Chung, L. W.;*Zhang, X.; Houk, K. N.;* Wu, Y.-D.* “Ligand-ControlledReactivity, Selectivity and Mechanism of Cationic Ruthenium-CatalyzedHydrosilylations of Alkynes, Ketones and Nitriles: A Theoretical Study”, J.Org. Chem. 2014, 79, 8856.. (citations: 8)

28. Mei, G.; Yuan, H.; Gu, Y.; Chen,W.; Chung, L. W.; Li, C.-C.* “Dearomative Indole[5+2] Cycloaddition Reactions: Stereoselective Synthesis of HighlyFunctionalized Cycloheptaindoles”, Angew.Chem. Int. Ed.2014, 41, 11051. (citations: 9)

27. Li, X.;* Chung, L. W.; Morokuma,K.;* Li, G. “Theoretical Study on the UVR8 Photoreceptor: Sensing Ultraviolet-Bby Tryptophan and Dissociation of Homodimer”, J. Chem.Theory Comput. 2014, 10, 3319. (citations: 7)

26. Ding, L.; Chung, L. W.;Morokuma, K.* “Excited-State Proton Transfer Controls Irreversibility ofPhotoisomerization in Mononuclear Ruthenium(II) Monoaquo Complexes: A DFT Study”, J.Chem. Theory Comput. 2014, 10, 668. (citations:4)

25. Ding, S.; Song, L.-J.; Chung,L. W.; Zhang, X.; Sun, J.;* Wu, Y.-D.* “Ligand-ControlledRemarkable Regio- and Stereodivergence in Intermolecular Hydrosilylation ofInternal Alkynes: Experimental and Theoretical Studies”, J.Am. Chem. Soc. 2013, 135, 13835. (citations: 25)

Highlighted by Nature China 2013, DOI:10.1038/nchina.2013.93

24. Ding, L.; Chung, L. W.;Morokuma, K.* “Reaction Mechanism of Photo-induced Decarboxylation of thePhotoactivatable Green Fluorescent Protein: An ONIOM(QM:MM) Study” J.Phys. Chem. 2013, 117, 1075. (citations: 12)

23. Chung, L. W.; Hirao, H.;Li, X.; Morokuma, K.* “The ONIOM Method: Its Foundation and Applications to Metalloenzymesand Photobiology”, Wiley Interdisciplinary Reviews: Comput. Mol. Sci. 2012, 2,327.(citations: 47)

22. Tanaka, R.; Yamashita, M.; Chung,L. W.; Morokuma, K.;* Nozaki, K.* “Mechanistic Studieson the Reversible Hydrogenation of Carbon Dioxide Catalyzed by an Ir-PNPComplex” Organometallics 2011, 30,6742. (citations: 94)

21. Chung, L. W.;* Li,X.; Hirao, H.; Morokuma, K.* “ComparativeReactivity of Ferric-Superoxo and Ferryl-Oxo Species in Heme and Non-HemeComplexes” J. Am. Chem. Soc. (Commun.) 2011,133, 20076. (citations: 20)

20. Li, X.; Chung, L. W.;*Morokuma, K.* “Photodynamics of All-trans Retinal Protonated Schiff Base inBacteriorhodopsin and Methanol Solution” J. Chem.Theory Comput. (Lett.) 2011, 7, 2694. (citations: 17)

19. Abdel-Azeim, S.; Li, X.; Chung,L. W.; Morokuma, K.* “Zinc–Homocysteine Binding in Cobalamin-Dependent Methionine Synthase andits Role in the Substrate Activation: DFT, ONIOM, and QM/MM Molecular DynamicsStudies” J. Comput. Chem. 2011, 32,3154. (citations: 10)

18. Nakamura, A.; Munakata, K.; Ito, S.;Kochi, T.; Chung, L. W.; Morokuma, K.;* Nozaki, K.* “Pd-CatalyzedCopolymerization of Methyl Acrylate with Carbon Monoxide: Structures,Properties and Mechanistic Aspects toward Ligand Design” J.Am. Chem. Soc. 2011, 133, 6761. (citations:34)

17.Li, X.; Chung, L.W.; Mizuno, H.; Miyawaki, A.; Morokuma, K.* “CompetitiveMechanistic Pathways for Green-to-Red Photoconversion in the FluorescentProtein Kaede: A Computational Study” J. Phys.Chem. B2010, 114, 16666. (citations: 22)

16.Li, X.; Chung, L.W.; Mizuno, H.; Miyawaki, A.; Morokuma, K.* “Primary Events ofPhotodynamics in Reversible Photoswitching Fluorescent Protein Dronpa” J.Phys. Chem. Lett. 2010, 1, 3328. (citations:35)

15. Nozaki, K.;* Kusumoto, S.; Noda, S.; Kochi, T.; Chung, L. W.; Morokuma, K.;* “Why DidIncorporation of Acrylonitrile to a Linear Polyethylene Become Possible?Comparison of Phosphine‒Sulfonate Ligand with Diphosphine andImine‒ Phenolate Ligands in the Pd-Catalyzed Ethyelene/AcrylonitrileCopolymerization” J. Am. Chem. Soc. 2010, 132,16030. (citations: 36) [Correction: J. Am. Chem.Soc. 2012, 134, 13912]

14. Chung, L. W.; Li,X.; Sugimoto, H.; Shiro, Y.; Morokuma, K.* “ONIOM Studyon a Missing Piece in Our Understanding of Heme Chemistry: Bacterial Tryptophan2,3-Dioxygenase with Dual Oxidants” J. Am.Chem. Soc. 2010, 132, 11993. (citations:37)

Highlighted by Curr. Opin. Chem.Biol. 2012, 16, 60:

13. Li, X.; Chung, L. W.;Mizuno, H.; Miyawaki, A.; Morokuma, K.* “A Theoretical Studyon the Nature of On- and Off-States of Reversibly Photoswitching FluorescentProtein Dronpa: Absorption, Emission, Protonation and Raman” J.Phys. Chem. B 2010, 114, 1114. (citations: 42)

12. Noda, S.; Nakamura, A.; Kochi,T.; Chung, L. W.; Morokuma, K.;* Nozaki, K.* “MechanisticStudies on the Formation of Linear Polyethylene Chain Catalyzed by PalladiumPhosphine−Sulfonate Complexes: Experiment and Theoretical Studies” J.Am. Chem. Soc. 2009, 131, 14088. (citations:66)

11. Li, X.; Chung, L. W.; Paneth, P.; Morokuma, K.* “DFT and ONIOM(DFT:MM) Studies on Co-C Bond Cleavage and HydrogenTransfer in B12-Dependent Methylmalonyl-CoA Mutase. Stepwise or ConcertedMechanism?” J. Am. Chem. Soc. 2009, 131,5115. (citations: 36)

10. Chung, L. W.; Hayashi, S.;Lundberg, M.; Nakatsu, T.; Kato, H.; Morokuma, K.* “Mechanism ofEfficient Firefly Bioluminescence via Adiabatic Transition State and Seam ofSloped Conical Intersection” J. Am. Chem. Soc. (Commun.) 2008, 130,12880. (citations: 47)

9. Chung, L. W.; Li,X.; Sugimoto, H.; Shiro, Y.; Morokuma, K.* “DensityFunctional Theory Study on a Missing Piece in Understanding of Heme Chemistry:The Reaction Mechanism for Indoleamine 2,3-Dioxygenase and Tryptophan2,3-Dioxygenase” J. Am. Chem. Soc. 2008, 130,12299. (citations: 43)

Highlighted by RIKEN Research(http://www.rikenresearch.riken.jp/eng/research/5676)

Highlighted by Curr. Opin. Chem.Biol. 2012, 16, 60:

8. Chung, L. W.; Wiest, O.; Wu,Y.-D.* “A Theoretical Study on the Trans-Addition IntramolecularHydroacylation of 4-Alkynals Catalyzed by Cationic Rhodium Complexes” J.Org. Chem. 2008, 73, 2649.(citations: 18)

7. Zhang, X.-H.; Chung, L. W.;Lin, Z.;* Wu, Y.-D.* “A DFT Study on the Mechanism of Hydrosilylation of UnsaturatedCompounds with Neutral Hydrido(hydrosilylene)Tungsten Complex” J.Org. Chem. 2008, 73, 820. (citations: 14)

6. Chung, L. W.; Lee, H. G.;Lin, Z.;* Wu, Y.-D.* “Computational Study on the Reaction Mechanism of Hydrosilylation ofCarbonyls Catalyzed by High-Valent Rhenium(V)-Di-Oxo Complexes” J.Org. Chem. 2006, 71, 6000. (citations: 58)

5. Chung, L. W.; Wu, Y.-D.* “ATheoretical Study on the Intermolecular Hydroacylation of Alkyne Catalyzed byCationic Rhodium Complex” J. Theor. Comput. Chem. 2005, 4 (SpecialIssue), 737. (citation: 6)

4. Chung, L. W.; Chan, T. H.;Wu, Y.-D.* “Theoretical Study of the Intrinsic Reactivities of VariousAllylmetals toward Carbonyls and Water” Organometallics 2005, 24,1598. (citation: 16)

3. Miao, W.; Chung. L. W.; Wu,Y.-D; Chan, T. H.* “Experimental and Theoretical Studies of the Propargl-AllenylindiumSystem” J. Am. Chem. Soc. 2004, 126,13326. (citations: 44)

2. Chung, L. W.; Wu, Y.-D.;*Trost, B. M.;* Ball, Z. T. “A Theoretical Study on the Mechanism, Regiochemistry, andStereochemistry of Hydrosilylation Catalyzed by Cationic Ruthenium Complexes” J.Am. Chem. Soc.2003, 125, 11578. (citations: 79)

1. Zhang, J. H.; Liao, J.; Cui, X.; Yu, K.B.; Zhu, J.; Deng, J. G.;* Zhu, S. F.; Wang, L. X.; Zhou, Q. L.;* Chung,L. W.; Ye, T.* “Highly Efficient and Practical Resolution of1,1'-Spirobiindane-7,7'-Diol by Inclusion Crystallization withN-Benzylcinchonidinium Chloride” Tetrahedron: Asymmetry 2002, 13,1363. (citations: 38)