Browsing Araştırma Çıktıları / Research Outputs by Subject "quantum chemistry"

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Structural, Electronic, Thermodynamic, Optical and Nonlinear Optical Properties of Curcumin Complexes with Transition Metals: DFT and TD-DFT Study

Khireddine, Ahlem; Boukelkoul, Mebarek; Atalay, Yusuf; Tamer, Omer; Merzoud, Lynda; Chermette, Henry (2022)

Because of their important photonic applications, the curcumin molecules, which can easily be found in nature, are interesting in the study of nonlinear optical (NLO) properties. Density functional theory (DFT) calculations ...