Mainly engaged in small molecule-radical gas phase reactions related to atmospheric chemistry and environmental chemistry. Through quantum chemistry calculations theory and combined with reaction kinetics theory, the detailed reaction process of the reaction system is obtained, and the microscopic mechanism and kinetic properties of the reaction are clarified. Theoretical calculation and simulation of homogeneous surface catalytic reactions and the design of catalytic materials. Through the calculation of quantum chemistry theory and combined with the reaction kinetic theory, the detailed reaction process of the reaction system is obtained, and the microscopic mechanism and kinetic properties of the reaction are clarified.