Research Article

MNDO and DFT Computational Study on the Mechanism of the Oxidation of 1,2-Diphenylhydrazine by Iodine

Figure 2

(a) Energy profile of the oxidation of 1,2-diphenylhydrazine by iodine as per the DFT calculations. (b) Energy profile of the oxidation of 1,2-diphenylhydrazine by iodine as per the MNDO calculations.
592850.fig.002a
(a)
592850.fig.002b
(b)