Dr. Jingjing Zheng Department of Chemistry University of Minnesota 207 Pleasant St. SE Minneapolis, MN 55455 Email: zheng*at*comp.chem.umn.edu  Tel.: +1-612-6260372 Fax: +1-612-6269390

Education

• 1998-2003 Ph.D. in Chemistry, University of Science and Technology of China
• 1994-1998 B.Sc. in Chemistry, University of Science and Technology of China

Academic Experience

• 2006-present Postdoc in the group of Prof. Donald G. Truhlar at University of Minnesota, Twin Cities, USA.
• 2003-2006 Postdoc in the group of Prof. Walter Thiel, at Max-Planck-Institut für Kohlenforschung, Germany.
• 2002 Research Assistant in the group of Prof. Alan. S. C. Cheung, Department of Chemistry, University of Hong Kong, Hong Kong, China.
• 1998-2003 Doctoral studies in Chemical Physics supervised by Prof.Qingshi Zhu , University of Science and Technology of China, China.

Teaching Experience

• 1999-2000 Teaching Assistant of the undergraduate Structural Chemistry course, University of Science and Technology of China, Hefei, China.

Award/Fellowship

• 2003-2006 Max-Planck Society Research Fellowship, Germany.
• 2002 Qiu Shi Scholarship for Postgraduates by Hong Kong Qiu Shi Science and Technology Foundation.
• 1998 Excellent Graduate Scholarship of Anhui Province
• 1996-1998 Guanghua Educational Foundation Scholarship.
• 1994-1996 Excellent Student Scholarship of University of Science and Technology of China

Research Interests

My research interests are theoretical and computational chemistry, including the development and application of variational transition state theory (VTST), quantum mechanical (QM), quantum-mechanical/molecular-mechanical (QM/MM) and molecular dynamic (MD) simulation methods to investigate chemical and biochemical systems

Software (coauthor)

• GAUSSRATE
• JAGUARATE
• MOPAC-MN
• POLYRATE

Professional Membership

• American Chemical Society

Publications (full list)

• Selected articles:

• Thermochemical Kinetics of Hydrogen-Atom Transfers Between Methyl, Methane, Ethynyl, Ethyne, and Hydrogen
  Zheng, J. J., Zhao, Y., and Truhlar, D. G. J. Phys. Chem. A 111, 4632-4642, 2007.

• A Common System Setup for the Entire Catalytic Cycle of Cytochrome P450cam in QM/MM Studies
  Zheng, J. J., Altun, A., Thiel, W. J. Comput. Chem.28, 2147-2158, 2007.

• Representative Benchmark Suites for Barrier Heights of Diverse Reaction Types and Assessment of Electronic Structure Methods for Thermochemical Kinetics
  Zheng, J. J., Zhao, Y., and Truhlar, D. G. J. Chem. Theory Comput. 3, 569-582, 2007.

• QM/MM study of mechanisms for Compound I formation in the catalytic cycle of cytochrome P450cam
  Zheng, J. J., Wang, D. Q., Thiel, W., Shaik, S. J. Am. Chem. Soc. 128, 13204-13215, 2006.

• Potential energy surface for the electronic ground state of NH ₃ up to 20000 cm^-1 above equilibrium
  Yurchenko, S. N., Zheng, J. J., Lin, H., Jensen, P., and Thiel, W. J. Chem. Phys., 123, 134308, 2005.

• An ab initio anharmonic force field of SiHCl₃
  Zheng, J. J., He, S. G., Hu, S. M., Zhu, Q. S. Mol. Phys. 101, 1165-1170, 2003.

• Absolute local mode vibrational band intensities of AsH₃
  Zheng, J. J.,He, S. G., Ding, Y., Hao, L. Y., Wang, X. H., Hu, S. M., Zhu, Q. S. Chem. Phys. Lett, 352 , 435-440, 2002.

• High resolution rotational analysis of deuterated hypochlorous acid: ground State, (100) and (020) vibrational states
  Zheng, J. J., Ulenikov, O. N., Bekhtereva, E. S., Ding, Y., He, S. G., Wang, X. H., Hu, S. M., and Zhu, Q. S. J. Mol. Spectrosc., 209, 105-115, 2001.

Last modified: September 27, 2007