represents the RRKM rate coefficient. According to the theory, if the reactants are randomly excited with 𝐸vib, resulting in a microcanonical ensemble, then this ensemble will remain during the reaction and the reaction rate coefficient will be time independent. respectively. As depicted in the figure, the direct dynamic results, RRKM theory, and QCT simulation are first close to each other. After a certain time, the direct dynamic results begin to deviate from the QCT simulations, which can be attributed to two key factors. First, the current PES is based on the high-precision CCSD(T)-F12a/AVTZ method, which is more accurate than the B3LYP/6-311++G(2d,2p) level employed in the direct dynamic simulations. Second, the direct dynamic simulations were limited to 150 trajectories for each 𝐸vib, which are not sufficient and introduce large statistical errors.