where 𝑘 θ,L is the standard reaction rate constant in liquid phase, 𝜅 is the dimensionless transmission coefficient (assume to be a constant in this work), 𝑘 B is the Boltzmann constant, 𝑇 is the reaction temperature, ℎ is the Planck constant, 𝑐 𝑖 θ,L is the liquid phase standard state concentration of compound i (𝑐 𝑖 θ,L = 1mol/L), 𝜈 𝑖 is the stoichiometric coefficient of compound i, 𝐺 a θ,L is the standard activation Gibbs free energy in liquid phase, 𝑅 is the universal gas constant, TS represents the transition state, R represents the reactants. 𝐺 𝑖 θ,IG denotes the standard Gibbs free energies of compound i in gas phase, which is predicted by the DFT method. ∆𝐺 𝑖 θ,p→c is the Gibbs free energy change of compound i from a pressure-based standard state at 1 atm to a concentration-based standard state at 1 mol/L for an ideal gas (∆𝐺 𝑖 θ,p→c = 7.91kJ/mol at 298.15 K and 1 atm). ∆𝐺 𝑖 θ,solv is the standard solvation free energy of compound i.