1. Multistate Reaction Mechanism
Photochemical processes and electron transfer
Nonconjugated luminescent units (in cooperation with Prof. Nan Jiang)
2. Electronic Structure of Molecules and Clusters
3. Computational Organic Chemistry
4. Surface Catalysis Mechanism
Nitrogenase-like catalysts (in cooperation with Prof. Bing Yu and Dr. Zechao Zhuang)