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A set of four azomethines and two phenylhydrazones, labeled SIM, SIF, SIT, SIC, SIP and NIP, were synthesized. Afterward, they were subjected to antiradical activity tests (DPPH, CUPRAC and reducing power). Moreover, molecular modeling calculations at the density functional theory level were carried out on these molecules to determine some thermodynamic molecular descriptors (BDE, IP, PDE, PA and...
Temperature-dependent diffuse reflectance spectroscopy (DRS) measurements have been carried out on the polycrystalline sample TiO2. Important values from optical parameters such as band gap (Eg), Urbach energy (EU), and Urbach focus (E0) have been estimated in the range of 300–450 K. In order to understand the experimental value of band gap (Eg) of TiO2, i.e., obtained from DRS, a first-principle...
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