A DFT Study of Structural and Bonding Properties of Complexes Obtained from First-Row Transition Metal Chelation by 3-Alkyl-4-phenylacetylamino-4,5-dihydro-1H-1,2,4-triazol-5-one and Its Derivatives

<div>Superposition of metal binding energy values (in kJ/mol) obtained using B3LYP/Mixed I, B3LYP/Mixed II, and CCSD(T) for neutral ADPHT ligands (a) and for deprotonated ADPHT ligands (b).</div>

Bioinorganic Chemistry and Applications

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Figure 3

Figure 3: A DFT Study of Structural and Bonding Properties of Complexes Obtained from First-Row Transition Metal Chelation by 3-Alkyl-4-phenylacetylamino-4,5-dihydro-1H-1,2,4-triazol-5-one and Its Derivatives 

Figure 3 | A DFT Study of Structural and Bonding Properties of Complexes Obtained from First-Row Transition Metal Chelation by 3-Alkyl-4-phenylacetylamino-4,5-dihydro-1H-1,2,4-triazol-5-one and Its Derivatives 