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