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Density functional theory calculations have been performed at B3LYP/6–31+G (d) level to quantify the aromaticities of mono- to triazines through dyotropic double hydrogen transfer (DDHT) reaction. The reaction was chosen such that the azines are products of double hydrogen dyotropic rearrangement, and activation barriers and energies of the reactions were functions of the aromaticities of azines....
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