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Now showing items 11-14 of 14
Quantum chemical investigation of levofloxacin-boron complexes: A computational approach
(ELSEVIER SCIENCE BV, 2018)
Quantum chemical calculations are performed over some boron complexes with levofloxacin. Boron complex with fluorine atoms are optimized at three different methods (HF, B3LYP and M062X) with 6-31 + G(d) basis set. The best ...
Antiproliferative, antioxidant, computational and electrochemical studies of new azo-containing Schiff base ruthenium(II) complexes
(ROYAL SOC CHEMISTRY, 2018)
A new series of ruthenium(II) complexes 7-11 containing the -N=N-group are synthesized and characterized via elemental analysis, and IR, UV-visible and H-1-C-13 NMR spectroscopy. The solid-state structures of 2, 6 and 9 ...
Sev and pcu topological nets in one-pot newly synthesized mixed-ligand imidazole-containing Cu(II) coordination frameworks: Crystal structure, intermolecular interactions, theoretical calculations, magnetic behavior and biological activity
(ELSEVIER SCIENCE SA, 2018)
Novel mixed-ligand coordination frameworks, occurring concomitantly namely [Cu(Im)(3)(H(2)Cit)] (1) and [Cu(Im)(2)(HCit)]center dot HIm (2) (with Im = imidazole and H(4)Cit = citric acid) were obtained as a result of the ...
Investigation of structural, electronic properties and docking calculations of some boron complexes with norfloxacin: A computational research
(PERGAMON-ELSEVIER SCIENCE LTD, 2018)
Quantum chemical calculations are performed over BF2R (1), B(NO)(2)R (2), B(CN)(2)R (3) and B(CH3)(2)R (4) IR: 1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yI)-1,4-dihydroquinoline-3-carboxylate]. Mentioned boron complex with ...