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廖荣臻,生于1983年10月,博士,华中科技大学教授。2005.6月获北京师范大学学士学位,2011年获得北京师范大学博士学位,导师刘若庄院士,2007.1-2009.4,瑞典皇家工学院理论化学系获副博士学位,2009.5-2010.10,瑞典斯德哥尔摩大学有机化学系获博士学位,2011.2-2012.12,德国马普煤炭研究所博士后,2013.1-2014.12,瑞典斯德哥尔摩大学有机化学系博士后,2014.12-今,华中科技大学化学化工学院教授。研究兴趣:计算催化方法学研究,酶催化反应机理的理论研究,人工合成光合系统的理论研究。在Proc.Natl.Acda.Sci.U.S.A.、Angew.Chem.Int.Ed.、Chem.Sci.、Chem.Comm.、Inorg.Chem.发表论文三十余篇。
姓 名: 廖荣臻 liaorongzhen
出生年月:1983-10
学历: 博士
职称: 教授
专业方向:理论与计算化学
电 话:15071100657
Email:rongzhen@hust.edu.cn
个人主页:
教育与研究经历
教育
2001.9-2005.6 学士学位,北京师范大学化学系
2005.9-2011.1 博士学位,北京师范大学化学学院(导师:刘若庄院士)
2007.1-2009.4 副博士学位,瑞典皇家工学院理论化学系(导师:Fahmi Himo 教授)
2009.5-2010.10 博士学位,瑞典斯德哥尔摩大学有机化学系(导师:Fahmi Himo 教授)
工作经历
2011.2-2012.12 德国马普煤炭研究所博士后(导师:Walter Thiel 教授)
2013.1-2014.12 瑞典斯德哥尔摩大学有机化学系博士后(导师:Per Siegbahn 教授)
2014.12- 华中科技大学化学化工学院教授
研究领域与兴趣
研究领域:物理化学,催化化学
研究生招生:硕士:物理化学(理学)
博士:物理化学(理学)
研究兴趣:
计算催化方法学研究;酶催化反应机理的理论研究;人工合成光合系统的理论研究
联系方式:韵苑28栋312 (15071100657)
迄今为止,已在国际核心期刊上发表SCI论文60多篇,其中第一作者或通讯作者30余篇,SCI他引600余次,H-index为19。2014年12月回国独立工作后,以通讯作者(含共同通讯作者)发表和接受论文17篇,其中Angew. Chem. Int. Ed.一篇,Chem. Sci.一篇,ACS Catal.三篇。并荣获华中科技大学2016年度“科技新星”称号。
欢迎对理论与计算化学感兴趣的同学加盟!
教学情况
硕士研究生《计算化学》
本科生《结构化学》
本科生《化学信息学》
承担项目与课题
自然科学基金青年项目《基于锰水氧化催化剂催化反应机理的理论研究》,项目批准号:21503083,21.00万元,项目起止年月:2016年01月至 2018年 12月。
代表性成果
24. Wen-Jie Wei, Per E. M. Siegbahn, Rong-Zhen Liao* Theoretical Study of the Mechanism of the Non-heme Iron Enzyme EgtB. Inorg. Chem. 2017, 56, 3589-3599. (第一作者为2015级硕士生魏文杰)
23. Ying-Ying Li, Ke Ye, Per E. M. Siegbahn, Rong-Zhen Liao* Mechanism of Water Oxidation Catalysed by a Mononuclear Manganese Complex [Py2N(tBu)2Mn(H2O)2]2+. ChemSusChem 2017, 10, 903-911. (第一作者为2015级硕士生李英英)
22. Ke Ye, Ying-Ying Li, Rong-Zhen Liao* DFT study of the mechanism of hydrogen evolution catalysed by molecular Ni, Co and Fe catalysts containing a diamine-tripyridine ligand. RSC Adv. 2016, 6, 90035–90045. (第一作者为2013级本科生叶科)
21. Rong-Zhen Liao*, Shi-Lu Chen, Per E. M. Siegbahn. Unraveling the Mechanism and Regioselectivity of the B12-dependent Reductive Dehalogenase PceA. Chem. Eur. J. 2016, 22, 12391-12399.
20. Ahmed M Senan, Shuhao Qin, Sicheng Zhang, Chenling Lou, Zhuqi Chen, Rong-Zhen Liao*, and Guochuan Yin*. Non-redox metal ions accelerated olefin isomerization by Palladium(II) catalysts: DFT calculations supporting the experimental data. ACS Catal. 2016, 6, 4144-4148.
19. Sicheng Zhang, Zhuqi Chen, Shuhao Qin, Chenlin Lou, Ahmed M. Senan, Rong-Zhen Liao*, Guochuan Yin*. Non-redox Metal Ions Promoted Oxidative Coupling of Indoles with Olefins by Palladium(II) Acetate Catalyst Through Dioxygen Activation: Experimental Results with DFT Calculations.Org. Biomol. Chem. 2016, 14, 4146-4157.
18. Rong-Zhen Liao*, Markus D. Kärkäs, Tanja M. Laine, Björn Åkermark, Per E. M. Siegbahn*. On the Mechanism of Water Oxidation Catalyzed by a Dinuclear Ruthenium Complex: A Quantum Chemical Study. Catal. Sci. Technol. 2016, 6, 5031–5041.
17. Markus D. Kärkäs*, Rong-Zhen Liao*, Tanja M. Laine, Torbjörn Åkermark, Shams R. Karim, Per E. M. Siegbahn, Björn Åkermark*. Molecular Ruthenium Water Oxidation Catalysts Carrying Non-innocent Ligands: Mechanistic Insightthrough Structure–activity Relationships andQuantum Chemical Calculations. Catal. Sci. Technol. 2016, 6, 1306-1319.
16. Rong-Zhen Liao*, Stefano Santoro*, Martin Gotsev, Tommaso Marcelli, Fahmi Himo*. Originsof Stereoselectivity in Peptide-Catalyzed Kinetic Resolution of Alcohols. ACS Catal. 2016, 6,1165-1171.
15. Rong-Zhen Liao*, Per E. M. Siegbahn. Phosphate Hydrolysis by the Fe2−Ca3-Dependent Alkaline Phosphatase PhoX: Mechanistic Insights from DFT calculations. Inorg. Chem. 2015, 54,11941-11947.
14. Rong-Zhen Liao*, Shi-Lu Chen, Per E. M. Siegbahn. Which Oxidation State Initiates Dehalogenation in the B12-dependent Enzyme NpRdhA, CoII, CoI, or Co0? ACS Catal. 2015, 5, 7350-7358.
13. Rong-Zhen Liao*, Mei Wang, Licheng Sun, Per E. M. Siegbahn*, Mechanism of Hydrogen Evolution in Cu(bztpen)-Catalyzed Water Reduction: A DFT Study. Dalton Trans. 2015, 44, 9736-9739.
12. Tanja M. Laine, Markus D. Kärkäs*, Rong-Zhen Liao*, Per E. M. Siegbahn, Björn Åkermark*, ADinuclear Ruthenium-Based Water Oxidation Catalyst: use of Non-Innocent Ligand frameworks for Promoting Multi-Electron Reactions. Chem. Eur. J. 2015, 21, 10039-10048.
11. Rong-Zhen Liao*, Per E. M. Siegbahn*, Mechanism and Selectivity of the Dinuclear Iron Benzoyl-Coenzyme A Epoxidase BoxB. Chem. Sci. 2015, 6, 2754-2764.
10. Xiao-Jun Su, Meng, Gao, Lei, Jiao, Rong-Zhen Liao*, Per E. M. Siegbahn, Jin-Pei Cheng, Ming-Tian Zhang*, Electrocatalytic Water Oxidation by a Dinuclear Copper Complex in a Neutral Aqueous Solution. Angew. Chem. Int. Ed. 2015, 54, 4909-4914. (Hot paper)
9. Rong-Zhen Liao*, Markus D. Kärkäs, Bao-Lin Lee, Björn Åkermark, Per E. M. Siegbahn*, Photosystem II Like Water Oxidation Mechanism in a Bioinspired Tetranuclear Manganese Complex. Inorg. Chem. 2015, 5, 342-351.
8. Tanja M. Laine, Markus D. Kärkäs*, Rong-Zhen Liao*, Torbjörn Åkermark, Bao-Lin Lee, Erik A. Karlsson, Per E. M. Siegbahn, Björn Åkermark*, Water Oxidation Catalysis by a Dinuclear Ruthenium Complex: Use of Non-innocent Ligand Frameworks for Promoting Multi-electron Reactions. Chem. Comm. 2015, 51, 1862-1865.
7. Rong-Zhen Liao*, Per E. M. Siegbahn*, Which oxidation state leads to O-O bond formation in Cp*Ir(bpy)Cl catalyzed water oxidation, Ir(V), Ir(VI), or Ir(VII)? ACS Catal. 2014, 4, 3937-3949.
6. Margareta R. A. Blomberg, Tomasz Borowski, Fahmi Himo, Rong-Zhen Liao, Per E. M. Siegbahn, Quantum Chemical Studies of Mechanisms for Metalloenzymes. Chem. Rev. 2014, 114, 3601-3658.
5. Rong-Zhen Liao, Walter Thiel, Comparison of QM-only and QM/MM Models for the Mechanism of Tungsten-dependent Acetylene Hydratase.J. Chem. Theory Comput. 2012, 8, 3793-3803.
4. Rong-Zhen Liao, Fahmi Himo, Theoretical Study of the Chemoselectivity of Tungsten-Dependent Acetylene Hydratase. ACS Catal. 2011, 1, 937-944.
3. Rong-Zhen Liao, Jian-Guo Yu, Fahmi Himo, Quantum Chemical Modeling of Enzymatic Reactions: The Case of Decarboxylation.J. Chem. Theory Comput. 2011, 7, 1494-1501.
2. Rong-Zhen Liao, Jian-Guo Yu, Fahmi Himo, Mechanism of Tungsten-dependent Acetylene Hydratase from Quantum Chemical Calculations. Proc. Natl. Acda. Sci. U.S.A. 2010, 107, 22523-22527.
1. Rong-Zhen Liao, Jian-Guo Yu, Fahmi Himo, Phosphate Mono- and Diesterase Activities of the Trinuclear Zinc Enzyme Nuclease P1 – Insights from Quantum Chemical Calculations. Inorg. Chem. 2010, 49, 6883-6888.
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