Hua Guo
| Position: | Professor of Chemistry, Physical Chemistry |
|---|---|
| Email: | hguo@unm.edu |
| Phone: | 505.277.1716 |
| Fax: | 505.277.2609 |
| Office: | Room #108A-BE |
| Homepage: | http://www.unm.edu/~hguo |
Education
- B.S. in Chemistry, 1982, Chengdu Institute of Electronic Engineering
- M.S. in Chemistry, 1985, Sichuan University
- Ph.D. in Chemistry, 1988, Sussex University
- Postdoctoral Fellowship in Chemistry, 1990, Northwestern University
Research
We are interested in theoretical and computational studies of highly excited vibrational spectra and reaction dynamics of polyatomic molecular systems. These molecular systems are prevalent in gaseous environments such as interstellar clouds, atmospheres, and in combustion. We develop and apply quantum mechanical solutions to understand these fundamental processes.
We are also interested in studying reaction mechanisms in both solution phase and enzymes. Theoretical studies not only provide mechanistic insights, but also allow optimization of reaction conditions. A clear understanding of enzyme binding and catalysis will also aid the design of effective therapeutic agents.
Recent Publications
- Xu, D., D. Xie, and H. Guo, Catalytic mechanism of class B2 metallo-b-lactamase. J. Biol. Chem., 2006. 281: p. 8740-8747.
- Xu, D., H. Guo, and Q. Cui, Deactivation of penicillin by dizinc b-lactamase: mechanistic insights from QM/MM and DFT studies. J. Am. Chem. Soc., 2007. 129: p. 10814.
- Van Wyngarden, A.L., K.A. Mar, K.A. Boering, J.J. Lin, Y.T. Lee, S.-Y. Lin, H. Guo, and G. Lendvay, Nonstatistical behavior of reactive scattering in the 18O+32O2 isotope exchange reaction. J. Am. Chem. Soc., 2007. 129: p. 2866.
- Xu, C., B. Jiang, D. Xie, S.C. Farantos, S.Y. Lin, and H. Guo, Analysis of the HO2 vibrational spectrum on an accurate ab initio potential energy surface. J. Phys. Chem. A, 2007. 111: p. 10353.
- Lin, S.Y., Z. Sun, H. Guo, D.H. Zhang, P. Honvault, D. Xie, and S.-Y. Lee, Fully Coriolis coupled quantum studies of the H + O2 --> OH + O reaction on an accurate potential energy surface: integral cross sections and rate constants. J. Phys. Chem. A, 2008. 112: p. 602.