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Abstract The nonlinear optical (NLO) and antifungal properties of 3-(2,4-dichlorophenyl)-1-phenylprop-2-en-1-one (3DPPP) were investigated through a combined experimental and computational approach. UV–Vis spectroscopy revealed an optical band gap of 2.88 eV and a cut-off wavelength of 421 nm, consistent with TD-DFT predicted HOMO–LUMO gap of 4.03 eV.
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