Articles with "complexes dft" as a keyword



Design, Synthesis, Physicochemical Characterization, and Prospective Pharmaceutical Applications of Novel Tetra‐Dentate Salen Complexes: DFT and Molecular Docking Insights

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Published in 2025 at "Applied Organometallic Chemistry"

DOI: 10.1002/aoc.70269

Abstract: Some novel salen metal chelates of Cu(II), Ni(II), VO(II), and Pd(II) were synthesized using the ligand 2,2'‐((1E,1'E)‐((4, 5‐dimethyl‐1,2‐phenylene) bis(azaneylylidene)) bis(methaneylylidene)) bis(4‐bromophenol). These complexes were extensively characterized through m.p., elemental analysis, TGA, conductivity, and UV–visible spectroscopy.… read more here.

Keywords: molecular docking; docking insights; complexes dft; salen ... See more keywords