个人简介

武汉大学化学与分子科学学院教授，博士生导师

教育经历

1990年至2000年获山东大学化学学士、硕士、博士。

工作经历

2000年至2003年在美国Brookhaven National Laboratory 和Argonne National Laboratory做博士后研究（Postdoctoral Research Associate）。

2004年至今武汉大学化学与分子科学学院任教。

研究方向

This laboratory is interested in both quantum mechanics and molecular mechanics. The major interest is to discover new chemistry in the filed of atmosphere, combustion, solution, materials, and biomolecules. Molecule geometries(bond structures, crystal phase, solvation structures), electronic properties (tensors, diople, polarization, hyperpolarization, charges, orbitals), spectral properties (UV, infrared, raman, NMR, CD, band structure, DOS), and reactions (mechanism, kinetics, dynamics) can be predicted theoretically with a high accuracy.

 Theoretically, the efficient semi-empirical quantum chemistry methods have been developed to estimate the thermo-chemical data for gas, liquid, and solid. The specific property parameterized density functional theory has been developed for the simulation of chemical reaction and for the prediction of the chemical properties such as NMR chemical shifts.

代表性成果

1. "Ab initio study of the reaction of propionyl (C₂H₅CO)radical with oxygen (O₂)", Hua Hou and Baoshan Wang, J. Chem. Phys. 2007, 127, 054306.

2.“Computational study of the reaction of atomic oxygen with acetone in thegas phase”, Hua Hou; Y. Li; Baoshan Wang, J. Phys. Chem. A.2006, 110, 13163.

3. “Hydrolytically stable tricoordinate chiral bicyclo[4.4.0]diboronic ester: synthesis, structural characterization, and theoretical Investigation”, Yan Zhou, Zixing Shan, Baoshan Wang, and Peng Xie, Organometallics 2006, 25, 4917.

4.“Ab initio study of the potential energy surface for the OH+CO--> H+CO₂ reaction”, Xinli Song, Jicun Li, Hua Hou, and Baoshan Wang, J. Chem. Phys. 2006, 125, 094301.

5. “Computational study of the reaction of chlorinated vinyl radical with molecular oxygen (C₂Cl₃ + O₂)”, Huan Wang, Jicun Li, Xinli Song, Yuzhen Li, Hua Hou, Baoshan Wang, Hongmei Su, and Fanao Kong, J. Phys. Chem. A 200       6, 110,10336.

6. “A systematic computational study of the reactions of HO₂ with RO₂: the HO₂ + C₂H₅O₂ reaction”, Hua Hou, Jicun Li, Xinli Song, and Baoshan Wang,* J. Phys. Chem. A2005, 109, 11206.

7. “Mechanistic and kinetic study of the O +CH₃OCH₂ reaction and the unimolecular decomposition of CH₃OCH₂O”, Xinli Song, Hua Hou and Baoshan Wang,* Phys . Chem. Chem. Phys.2005, 7, 3980