个人简介

[Education] Oct. 2003 ~ Nov. 2006: PhD in Theoretical Chemistry, University of Bristol, UK [Awards & Honors: ORS Award of UK Department for Education and Skills (2003-2006); University of Bristol Postgraduate Research Scholarship (2003-2006)] Sep. 1999 ~ July 2002: Master of Quantum Chemistry, Peking University, China [Awards & Honors: Canon Excellence Scholarship of Peking University (2001)] Sep. 1986 ~ July 1990: Bachelor of Quantum Chemistry, Beijing Normal University, China [Awards & Honors: Excellent Thesis Award of Beijing Normal University (1990)] [Professional Experiences] Sep. 2010 ~ Current:Associate Professor in Department of Chemistry, Shanghai University, China Sep. 2008~ Sep. 2010:Research Fellow in Department of Pure & Applied Chemistry, University of Strathclyde, UK [Sep. 28~ Oct. 31, 2009:Visiting Scientist in Department of Chemistry, University of Queensland, Australia] Jan. 2008 ~ Sep. 2008: Research Assistant in School of Chemistry, University of Bristol, UK Dec. 2006~ Dec. 2007: Postdoctoral Fellow in Department of Chemistry, University of Helsinki, Finland June 2003~ Sep. 2003: Research Assistant in Theoretical Chemistry, Vrije Universiteit, Amsterdam, the Netherlands

研究领域

1. Theoretical investigation of the reaction mechanisms for the transitional metal-catalyzed cross coupling and the metal enzyme-catalyzed reactions. 2. Theoretical study of the quantum control by femtosecond laser pulses. 3. Theoretical study of the quantum dynamic simulations of biochemical systems. 4. Theoretical investigation of biomolecular system as a template for reversible nanoparticle assembly. 5. Molecular simulation of nano materials. 6. Computational materials, such as, VO2, etc.

1. Theoretical investigation of the reaction mechanisms for the transitional metal-catalyzed cross coupling and the metal enzyme-catalyzed reactions. 2. Theoretical study of the quantum control by femtosecond laser pulses. 3. Theoretical study of the quantum dynamic simulations of biochemical systems. 4. Theoretical investigation of biomolecular system as a template for reversible nanoparticle assembly. 5. Molecular simulation of nano materials. 6. Computational materials, etc.

近期论文

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1. Q. Ren*, Y. Cai, Y. Gao*, “DFT study of M-doped (M=P, As, Bi) VO2 for thermochromic energy-saving materials”. Comp. Mater. Sci.(2018), 150, 337-345. [IF=2.292] 2. Q. Ren*, S. An, Z. Huang, N. Wu, X. Shen “Halogen Atom Transfer Mechanism of Iron-Catalyzed Direct Arylation to Form Biaryl Using Density Functional Theory Calculations”. J. Organomet. Chem. (2017), 844, 8-15. [IF=2.336] 3. Q. Ren*, N. Wu, Y. Cai, J. Fang, “DFT Study of the Mechanisms of Iron-Catalyzed Regioselective Synthesis of α‑Aryl Carboxylic Acids from Styrene Derivatives and CO2”. Organometallics (2016), 35, 3932-3938. [IF=4.186] 4. J. Liu, Q. Ren*, X. Zhang*, H. Gong*, “Preparation of Vinyl Arenes by Nickel-Catalyzed Reductive Coupling of Aryl Halides with Vinyl Bromides”. Angew. Chem. Int. Ed. (2016), 55, 15544-15548. [IF=11.994] 5. N. Li, S. Wang, Q. Ren, S. Li, Y. Sun, “Catalytic Mechanisms of Methanol Oxidation to Methyl Formate on Vanadia−Titania and Vanadia−Titania−Sulfate Catalysts”. J. Phys. Chem. C (2016), 120, 29290-29301. [IF=4.536] 6. J. Li, L. Wang, Y. Ye, X. Fu, Q. Ren, H. Zhang, Z. Deng, “Improving the solubility of dexlansoprazole by cocrystallization with isonicotinamide”. Eur. J. Pharm. Sci. (2016), 85, 47-52. [IF=3.773] 7. N. Teng, J. Ni, H. Chen, Q. Ren, H. Na, X. Liu, R. Zhang, J. Zhu, “Initiating Highly Effective Hydrolysis of Regenerated Cellulose by Controlling Transition of Crystal Form with Sulfolane under Microwave Radiation”. ACS Sustainable Chem. Eng. (2016), 4, 1507-1511. [IF=5.951] 8. J. Wan, Q. Ren*, N. Wu, Y. Gao*, “Density functional theory study of M-doped (M=B, C, N, Mg, Al) VO2 nanoparticles for thermochromic energy-saving foils”. J. Alloy. Compd.(2016), 662, 621-627. [IF=3.133] 9. Q. Ren*, X. Shen, J. Wan, J. Fang, “Density functional theory study of the mechanisms of iron-catalyzed intramolecular C-H amination [1,2]-shift tandem reactions of aryl azides”. Organometallics (2015), 34, 1129-1136. [IF=4.186] 10. Q. Ren*, X. Shen, “Reaction mechanism for the iron-catalyzed biaryl cross-coupling of aryl Grignard reagents”. Acta Phys.-Chim. Sin.(2015), 31, 852-858. [IF=0.886] 11. Q. Ren*, J. Wan, Y. Gao, “Theoretical study of electronic properties of X-doped (X=F, Cl, Br, I) VO2 nanoparticles for thermochromic energy-saving foils”. J. Phys. Chem. A (2014), 118, 11114-11118. [IF=2.693] 12. Q. Ren*, F. Jiang, H. Gong, “DFT study of the single electron transfer mechanisms in Ni-catalyzed reductive cross-coupling of aryl bromide and alkyl bromide”. J. Organomet. Chem.(2014), 770, 130-135. [IF=2.302] 13. X. Zhang, Q. Ren, W. Rao, Y. Ding, “Improvement of Victor Meyer method for the determination of relative molecular mass”. Sci. Technol. West China(2014), 13, 11-12. [For teaching] 14. F. Jiang, Q. Ren*, “Reaction mechanism for the Ni-catalyzed reductive cross-coupling of aryl halides”. Acta Phys.-Chim. Sin.(2014), 30, 821-828. [IF=0.886] 15. Q. Ren*, S. Guan, X. Shen, J. Fang, “Density functional theory study of the mechanisms of iron-catalyzed aminohydroxylation reactions”. Organometallics (2014), 33, 1423-1430. [IF=4.253] 16. F. Jiang, Q. Ren*, “Theoretical investigation of the mechanisms of the biphenyl formation in Ni-catalyzed reductive cross-coupling system”. J. Organomet. Chem.(2014), 757, 72-78. [IF=2.302] 17. Q. Ren*, S. Guan, F. Jiang, J. Fang, “Density functional theory study of the mechanisms of iron-catalyzed cross-coupling reactions of alkyl Grignard reagents”. J. Phys. Chem. A (2013), 117, 756-764. [IF=2.946] 18. F. Wu, W. Lu, Q. Qian, Q. Ren*, H. Gong*, “Ketone formation via mild nickel-catalyzed reductive coupling of alkyl halides with aryl acid chlorides”. Org. Lett. (2012), 14, 3044-3047. [IF=6.142] 19. V. Hanninen, M. Korpinen, Q. Ren, R. Hinde, L. Halonen, “An ab initio study of van der waals potential energy parameters for silver clusters”. J. Phys. Chem. A (2011), 115, 2332-2339. [IF=2.946] 20. Q. Ren, K. E. Ranaghan, A. J. Mulholland, J. N. Harvey, F. R. Manby, G. G. Balint-Kurti, “Optimal control design of laser pulses for mode specific vibrational excitation in an enzyme-substrate complex”. Chem. Phys. Lett. (2010), 491, 230-236. [IF=2.282]