592850.fig.003a
(a)
592850.fig.003b
(b)
Figure 3: (a) Energy profile of the oxidation of 1,2-diphenylhydrazine by iodine via the cyclic activated complex for the DFT calculations. (b) Energy profile of the oxidation of 1,2-diphenylhydrazine by iodine via the cyclic activated complex for the MNDO calculations.