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个人简介

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

研究领域

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

近期论文

查看导师最新文章 (温馨提示:请注意重名现象,建议点开原文通过作者单位确认)

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) 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) 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) 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. 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) 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” 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) 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) 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) 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) 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) 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) 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) 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) 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) 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) 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) 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) 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) 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)

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