自然指数新星榜出炉,南科大化学系表现亮眼 2015年5月1-2016年4月30日,化学系共发表19篇文章(AC),加权文章总值(WFC)为12.98。自然指数排名对新型学校的提升和进步具有非常重要的意义。
张绪穆教授做客深圳中学分享讲座 2016年11月23日下午,我校化学系系主任张绪穆教授做客深圳中学,带来了题为《由灵感到书架,由书架到货架》的大型科普演讲。
致敬时代深士:化学系主任张绪穆获此殊荣 本次评选,共有82家政府部门、社会机构、行业协会、代表企业等参与推举,经过评委会的慎重票选和网络上近200万人次的投票,最终诞生6名“2016时代深士”。
第六届岭南有机化学论坛在南科大举行 2016年11月5日至6日,由广东省化学会和南方科技大学共同主办,以“有机化学”为主题的第六届岭南有机化学论坛在南方科技大学举行。来自全国8个省市的30所高校、科研所的学术领袖与青年学
国内首个诺奖得主命名研究机构深圳格拉布斯研究院揭牌 016年10月12日,由南方科技大学与诺贝尔化学奖得主罗伯特•格拉布斯(Robert H. Grubbs)合作建立的深圳格拉布斯研究院在深圳市民中心隆重揭牌。
许宗祥课题组在钙钛矿太阳电池空穴传输材料取得进展 论文在Nano Energy(IF=11.553)在线发表。论文详细介绍了新型金属酞菁功能材料分子设计与太阳电池器件应用研究的成果。
蒋伟课题组发明检测地下水中持久性污染物简易方法 我校化学系蒋伟课题组提出了地下水中持久性污染物——1,4-二氧六环的简便检测方法。该研究成果在线发表在化学类顶级期刊JACS上(IF=13.038)。

钟龙华

助理教授

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000306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。1310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37SCI论文(包括1Chem. Rev. 1Acc. Chem. Res. 12J. Am. Chem. Soc. 5篇第一或通讯作者),1Wiley跨学科综述(IF: 11.9)2Angew. Chem. Int. Ed.1Chem. Sci.2ACS Catal)3Wiley书籍章节;3篇论文被RIKEN Research, Curr. Opin. Chem. Biol., Nature China 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《Encyclopedia of Biophysics》收录与讨论。1311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)

多尺度多参考态模拟复杂体系(MMSCS):

1. 生物与仿生催化反应 (机理研究以及反应设计)

2. 光化学与光生物

3. 可持续化学

4. 新模拟方法的发展及应用

5. 药物设计


涉及到的计算方法包括: 量子力学(QM),分子力学(MM),统计力学,混合方法QM/MM,分子动力学(MD),蒙特卡罗方法(MC)等。

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, Kyoto University         

                        (PI, 800,000 Yen/year)

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

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

Palladium-Catalyzed Ethylene Polymerization: Effect of Ligand 3 Structure on the Molecular Weight and Linearity 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.“Ferrocenyl chiral bisphosphorus ligands for highly enantioselective asymmetric hydrogenation 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 Transition Metal-catalyzed Organic Reactions: the Role of Computational Chemistry", 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.* “Hydrogenation of 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: The Roles 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 ONOIM Method and its Applications”, Chem. Rev. 2015, 115, 5678. (invited for a special issue: “Calculations on Large Systems"; "Most Read Articles", May 2015). (citations: 21)

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


31. Ding, S.; Song, L.-J.; Wang, Y.; Zhang, X.;* Chung, L. W.;* Wu, Y.-D.;* Sun, J.* “Highly Regio- and Stereoselective Hydrosilylation of Internal Thioalkynes Under Mild Conditions”, 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 in Establishing 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-Controlled Reactivity, Selectivity and Mechanism of Cationic Ruthenium-Catalyzed Hydrosilylations 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 Highly Functionalized Cyclohepta[b]indoles”, 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-B by 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 of Photoisomerization 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-Controlled Remarkable Regio- and Stereodivergence in Intermolecular Hydrosilylation of Internal 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 the Photoactivatable 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 Metalloenzymes and 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 Studies on the Reversible Hydrogenation of Carbon Dioxide Catalyzed by an Ir-PNP Complex” Organometallics 2011, 30, 6742. (citations: 94)


21. Chung, L. W.;* Li, X.; Hirao, H.; Morokuma, K.* “Comparative Reactivity of Ferric-Superoxo and Ferryl-Oxo Species in Heme and Non-Heme Complexes” 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 in Bacteriorhodopsin 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 and its Role in the Substrate Activation: DFT, ONIOM, and QM/MM Molecular Dynamics Studies” 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-Catalyzed Copolymerization 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.* “Competitive Mechanistic Pathways for Green-to-Red Photoconversion in the Fluorescent Protein Kaede: A Computational Study” J. Phys. Chem. B 2010, 114, 16666. (citations: 22)


16. Li, X.; Chung, L. W.; Mizuno, H.; Miyawaki, A.; Morokuma, K.* “Primary Events of Photodynamics 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 Did Incorporation of Acrylonitrile to a Linear Polyethylene Become Possible? Comparison of Phosphine‒Sulfonate Ligand with Diphosphine and Imine‒Phenolate Ligands in the Pd-Catalyzed Ethyelene/Acrylonitrile Copolymerization” 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 Study on a Missing Piece in Our Understanding of Heme Chemistry: Bacterial Tryptophan 2,3-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 Study on the Nature of On- and Off-States of Reversibly Photoswitching Fluorescent Protein 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.* “Mechanistic Studies on the Formation of Linear Polyethylene Chain Catalyzed by Palladium Phosphine−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 Hydrogen Transfer in B12-Dependent Methylmalonyl-CoA Mutase. Stepwise or Concerted Mechanism?” J. Am. Chem. Soc. 2009, 131, 5115. (citations: 36)


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


9. Chung, L. W.; Li, X.; Sugimoto, H.; Shiro, Y.; Morokuma, K.* “Density Functional Theory Study on a Missing Piece in Understanding of Heme Chemistry: The Reaction Mechanism for Indoleamine 2,3-Dioxygenase and Tryptophan 2,3-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 Intramolecular Hydroacylation 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 Unsaturated Compounds 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 of Carbonyls Catalyzed by High-Valent Rhenium(V)-Di-Oxo Complexes” J. Org. Chem. 2006, 71, 6000. (citations: 58)


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


4. Chung, L. W.; Chan, T. H.; Wu, Y.-D.* “Theoretical Study of the Intrinsic Reactivities of Various Allylmetals 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-Allenylindium System” 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, and Stereochemistry 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 of 1,1'-Spirobiindane-7,7'-Diol by Inclusion Crystallization with N-Benzylcinchonidinium Chloride” Tetrahedron: Asymmetry 2002, 13, 1363. (citations: 38)

Book Chapter:

1.   Li, X.; Chung, L. W.; Morokuma, K. Modeling Photobiology Using Quantum Mechanics (QM) and Quantum Mechanics/Molecular Mechanics (QM/MM) Calculations,” In “Computational Methods for Large systems: Electronic Structure Approaches for Biotechnology and Nanotechnology ” Reimers, J. R. Eds. John Wiley & Sons, Inc., Hoboken, 2011, pp397-433.

2.  Chung, L. W.; Li, X.; Morokuma, K. Modeling Enzymatic Reactions in Metalloenzymes and Photobiology by Quantum Calculations (QM) and Quantum Mechanics/Molecular Mechanics (QM/MM) Calculations,” In “Quantum Biochemistry” Matta, C. Eds. WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim, 2010, pp85-130.

3.   Wu, Y.-D.; Chung, L. W.; Zhang, X.-H. “Hydrosilylation Reactions Discovered in the Last Decade: Combined Experimental and Computational Studies on the New Mechanisms,” In: “Computational Modeling for Homogeneous and Enzymatic Catalysis” Morokuma, K.; Musaev, D. G. Eds. WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim, 2008, pp285-316.

Book Chapter:

1.   Li, X.; Chung, L. W.; Morokuma, K. Modeling Photobiology Using Quantum Mechanics (QM) and Quantum Mechanics/Molecular Mechanics (QM/MM) Calculations,” In “Computational Methods for Large systems: Electronic Structure Approaches for Biotechnology and Nanotechnology ” Reimers, J. R. Eds. John Wiley & Sons, Inc., Hoboken, 2011, pp397-433.

2.  Chung, L. W.; Li, X.; Morokuma, K. Modeling Enzymatic Reactions in Metalloenzymes and Photobiology by Quantum Calculations (QM) and Quantum Mechanics/Molecular Mechanics (QM/MM) Calculations,” In “Quantum Biochemistry” Matta, C. Eds. WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim, 2010, pp85-130.

3.   Wu, Y.-D.; Chung, L. W.; Zhang, X.-H. “Hydrosilylation Reactions Discovered in the Last Decade: Combined Experimental and Computational Studies on the New Mechanisms,” In: “Computational Modeling for Homogeneous and Enzymatic Catalysis” Morokuma, K.; Musaev, D. G. Eds. WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim, 2008, pp285-316.

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