Research / 2019 / Article / Fig 7

Research Article

Kinetics of the Toluene Reaction with OH Radical

Figure 7

The reaction rate constants in the high-pressure limit: (a) sum of rate constants for abstraction reactions; (b) sum of rate constants for addition reactions. The SRP scaling factor is used for vibrational frequencies of transition states. For all reactions, tunneling is allowed to occur at all energies above the ZPE of the pre-reactive van der Waals complex. Some experimental data (symbols) and previous theoretical results (lines) are also given for comparison.