Research / 2019 / Article / Fig 3

Research Article

Kinetics of the Toluene Reaction with OH Radical

Figure 3

Pre-reactive complex structures: (a) side view of the structure obtained by Uc et al. [10] by the BHandHLYP/6-311++ method, with a symmetry; (b) side and top view of the structure optimized here by the M06-2X/MG3S method. Some bond distances are shown in Å.