Direct dynamics studies for the reactions of CF3CHFCF3 and CF3CF2CHF2 with H atoms

► By the dual-level direct dynamics method, the rate constants of the hydrogen abstraction reactions of CF3CHFCF3 + H (R1) and CF3CF2CHF2 + H (R2) are calculated. ► The small-curvature tunneling correction plays an important role in the lower temperature range. ► The heats of formation of species CF3CF2CHF2 (SC1 or SC2) and CF3CF2CF2 are firstly studied.