Education: B.Sc., Henan University; M. Sc., Huazhong Normal University; Ph.D., Nanyang Technological University; Post-doc: University of New Mexico
Research Area: Molecular Reaction Dynamics; Molecular Spectroscopy
Phone: (86) 027-87197173
Address: Wuhan Institute of Physics and Mathematics, Wuhan, 430071, P R China
Gas Phase Molecular Reaction Dynamics
The understanding of how chemical reactions occur and how to control them is of fundamental interest in the field of chemical physics and physical chemistry. Molecular reaction dynamics aims at describing elementary chemical reactions at the atomic-level. We are interested in developing new quantum mechanics models and methodologies to study the dynamics of polyatomic reactions, ranging from tri-atomic systems to hepta-atomic systems. Particular attentions will be paid to the mode specificity, bond selectivity and associated dynamic mechanisms.
High resolution molecular spectroscopy probes the basic physics property of a molecule. The theoretical molecular spectra can be used to assign measured spectra, test the accuracy of the potential energy surface, establish links with reaction dynamics and so on. Based on the Born-Oppenheimer approximation and variational principle, we developed full-dimensional quantum mechanics models to calculate the vibration-rotation spectra of floppy penta-atomic molecules/ions. In addition, the Chebyshev real wave packet method was implemented to simulate photoelectron-photofragment coincidence spectroscopy to image nuclear dynamics.
Selected Publications (Full list)
- Zhu, Y.; Ping, L.; Bai, M.; Liu, Y.; Song, H.; Li, J.; Yang, M., Tracking the energy flow in the hydrogen exchange reaction OH+ H 2 O→ H 2 O+ OH. Phys. Chem. Chem. Phys. 2018, 20, 12543.
- Zheng, R.; Zhu, Y.; Song, H., Mode specific dynamics in bond selective reaction O′(3P)+ HOD→ O′ H+ OD/O′ D+ OH. J. Chem. Phys. 2018, 149, 054304.
- Shi, F.; Zhang, Y.; Qi, J.; Song, H.; Yang, M., Theoretical studies of strong-field photoionization of CH3I. Chem. Phys. 2018, 516, 28.
- Ping, L.; Tian, L.; Song, H.; Yang, M., New Method to Extract Final-State Information of Polyatomic Reactions Based on the Normal Mode Analysis. J. Phys. Chem. A. 2018, 122, 6997.
- Song, H.; Yang, M., Understanding mode-specific dynamics in the local mode representation. Phys. Chem. Chem. Phys. 2018, 20, 19647.
- Ping, L.; Zhu, Y.; Li, A.; Song, H.; Li, Y.; Yang, M., Dynamics and kinetics of the reaction OH + H2S → H2O + SH on an accurate potential energy surface. Phys. Chem. Chem. Phys. 2018, 20, 26315.