Structural and Antioxidant Properties of Compounds Obtained from Fe<sup>2+</sup> Chelation by Juglone and Two of Its Derivatives: DFT, QTAIM, and NBO Studies

<div>Optimized geometries of the studied molecules, obtained by applying the B3LYP/6-31G(d)(Fe)U6-31+G(d,p)(E) level of theory.</div>

Bioinorganic Chemistry and Applications

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Figure 1: Structural and Antioxidant Properties of Compounds Obtained from Fe<sup>2+</sup> Chelation by Juglone and Two of Its Derivatives: DFT, QTAIM, and NBO Studies 

Figure 1 | Structural and Antioxidant Properties of Compounds Obtained from Fe2+ Chelation by Juglone and Two of Its Derivatives: DFT, QTAIM, and NBO Studies 