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Computational design and characterization of platinum-II complexes of some Schiff bases and investigation of their anticancer–antibacterial properties
(Wiley, June 2022)
Pt(L1)2-, Pt(L2)2-, and Pt(L3)2-type four-coordinated hypothetical platinum-II
complexes were designed and characterized computationally. Where L1, L2,
and L3 are the Schiff base anions as 2-((ethylamino)methyl)-6-meth ...
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 ...
Modeling, spectroscopic structural properties of platinum-II complexes of 2-((phenylimino)methyl)phenolate-based ligands and research of nonlinear optical, organic light emitting diode and solar cell performances
(Elsevier, 2023)
The hypothetical Pt(B1)2, Pt(B2)2 and Pt(B3)2 complexes were modeled. B1, B2 and B3 are Schiff bases, 2-((phenylimino)methyl)phenolate, 4-methyl-2-((phenylimino)methyl)phenolate and 4-nitro-2-((phenylimino)methyl)phenolate, ...