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By using the CHIH-DFT (Density Functional Theory for Heterocyclic Systems) model chemistry, we have calculated some properties related to the reactive behavior, such as the electronegativity, E HOMO , E LUMO , gap energy, hardness, electron affinity and ionization potential, as well as the chemically active sites indicated by Fukui functions of the megazol molecule, an antiparasitic...
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