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In the studied compound, the HOMO-LUMO energy gap (ΔE) of the studied compound is 3.9849 eV.
Further, the chemical reactivity analysis confirms that solvent highly affects the reactivity of the studied compound.
The chiral separation of the studied compound has been achieved employing vancomycin as the chiral selector.
In addition, the HPLC analysis showed the elimination of the studied compound and its byproducts under specific working conditions.
Practically no Li/Ni mixing was detected evidencing that the studied compound adopts almost an ideal α-NaFeO2 type structure.
The studied compound possesses C1 point group.
Moreover, the studied compound has one carbonyl group (C = O).
The electronic spectra of the studied compound were calculated by the TD DFT method.
These interactions can play crucial role in bioactivity of the studied compound.
The studied compound showed four electronic transition bands at 216, 258, 302 and 321 nm.
The studied compound has lower (3.9849 eV) energy gap (ΔE) than urea (7.6644 eV).
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