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Computational structure characterization, nonlinear optical properties and antitumor activities of Nickel(II) complexes containing alkoxy-derived dicyandiamide ligands
(NISCAIR, 2021)
[Ni(dcda-O-Me)2]
2+ (1), [Ni(dcda-O-Et)2]
2+ (2), [Ni(dcda-O-nPr)2]
2+ (3), and [Ni(dcda-O-nBu)2]
2+ (4) complexes
(dcda-O-R is dicyandiamide ligands with alkoxy-derived) have been optimized in the gas phase at ...
Computational investigation of molecular structures, spectroscopic properties and antitumor-antibacterial activities of some Schiff bases
(Elsevier, Ocak 2021)
Molecular structures, spectroscopic properties (IR, 1H NMR and 13C NMR, UV-VIS), molecular electrostatic potential maps and some molecular properties (ionization energy, electron affinity, energy gap, hardness, electronegativity, ...
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 ...
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, ...