【作者单位】Key Laboratory for Macromolecular Science of Shaanxi Province, School of Chemistry and Chemical Engineering, Shaanxi Normal University, Xi?an 710062, P. R. China； [2]Department of Chemistry, Taiyuan Normal University, Taiyuan 030031, P. R. China
【摘要】 A dual-level direct dynamics method was employed to study the hydrogen abstraction reaction of C2H3 with CH3F. The calculated potential barriers (ΔE≠) of reaction channels R1, R2, and R3 are 43.2,43.9, and 44.1 kJ·mol-1, respectively, and the reactio...
