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Figure 2: Enthalpy of activation profiles at 0 K for the toluene reaction with OH, as calculated by the M06-2X/MG3S method for hydrogen abstraction channels and by the M08-SO/MG3S method for OH-addition channels. Enthalpy of activation profiles at 0 K includes the zero-point energy, which is calculated by the quasiharmonic approximation with frequencies scaled with the SRP scaling factors.