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RESULTS AND DISCUSSION Structural parameters

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Figure 3 shows the energy values and isodensity plots of the  Highest Occupied Molecular Orbital (HOMO) and the Lowest  Unoccupied Molecular Orbital (LUMO) deduced in ethanol solvent  using the CPCM model at the B3LYP/6-311G(d,p) level of theory
Figure 3. The HOMO and LUMO energies levels (eV) of all studied dyes calculated in ethanol solvent obtained by CPCM-B3LYP/6-311G(d,p)Figure 2
Figure 4. UV-Vis spectrum of studied dyes in ethanol solvent obtained by  CPCM-TD-CAM-B3LYP/6-311G(d,p) level

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