Browsing Sivas Cumhuriyet Üniversitesi Fen Fakültesi by Subject "Rhenium complexesDFT calculationsOptic propertiesMolecular docking"
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Investigation of substituent effect on rhenium complexes by DFT methods: Structural analysis, IR spectrum, quantum chemical parameter, NLO and OLED properties, molecular docking
(Elsevier, 2023)For the synthesized 9b, 9c and 9d complexes, hypothetical complexes were formed by adding electron-withdrawing (NO2) and electron-donating (NH2) groups. Benchmark analysis was performed using the bond lengths of the ...