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A detail theoretical study has been performed using Density functional theory (DFT) and Time dependent DFT (TDDFT) to investigate the Intramolecular Proton Transfer (IPT) mechanism in Indole-7-carboxaldehyde (I7C) from its normal (I * ) to zwitterion (II * ) form. B3LYP/6-311++G (d, p) basis set has been used to obtain structural parameters and relative energies in the ground state...
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