Keywords: Cationic palladium complexes; X-ray structural analysis; Suzuki-Miyaura cross-coupling; DFT and TD-DFT calculations;
مقالات ISI (ترجمه نشده)
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Keywords: Azine; Quinoline; DFT and TD-DFT calculations; Energy functional B3LYP; Molecular modeling; Antitumor activity;
Novel Co(II), Ni(II) and Cu(II) complexes involving a 2-thienyl and trifluoromethyl containing symmetrically-substituted tetradentate Schiff-base ligand: Syntheses, structures, electrochemical and computational studies
Keywords: Thiophene-based Schiff base complex; N2O2-ligand; Cyclic voltammetry; Single-crystal X-ray diffraction; DFT and TD-DFT calculations;
Spectroscopic, structural, electrochemical and computational studies of some new 2-thienyl-containing β-diketonate complexes of cobalt(II), nickel(II) and copper(II)
Keywords: Cobalt(II); Nickel(II) and copper(II); Thiophene; Diketonate complex; Single-crystal X-ray diffraction; DFT and TD-DFT calculations;
Synthesis, spectroscopic and photophysical studies of xanthene derivatives
Keywords: Xanthene; Hirshfeld surface analysis; Spectroscopic analysis; DFT and TD-DFT calculations; Non-liner optical parameters;
Syntheses, crystal structures, spectral and DFT studies of copper(II) and nickel(II) complexes with Nâ²-(pyridine-2-ylmethylene)acetohydrazide
Keywords: Crystal structure; UV-Visible; Electron paramagnetic resonance (epr); Electrochemistry; Magnetic properties; DFT and TD-DFT calculations;
A new oxorhenium(V) complex with benzothiazole derived ligand: Relative stability and global chemical reactivity indices
Keywords: Oxorhenium(V) complex; X-ray crystal structure; DFT and TD-DFT calculations; Global chemical reactivity indices; Ligand substitution energy
Synthesis, X-ray crystal structures, spectroscopic and electrochemical studies of Zn(II), Cd(II), Ni(II) and Mn(II) complexes of N1,N4-bis(pyridoxylidene)triethylenetetramine
Keywords: M(II) complexes; Pyridoxal Schiff base; Fluorescence spectroscopy; DFT and TD-DFT calculations; X-ray structures
Synthesis and characterization of 3d and 4f metal complexes of Schiff base ligands
Keywords: Schiff base; Lanthanide ion; Transition metal complex; EPR; DFT and TD-DFT calculations;
Experimental, DFT and TD-DFT studies of rhenium complexes with thiocyanate ligands
Keywords: Re(V) complexes; Thiocyanate complexes; Crystal structures; DFT and TD-DFT calculations
Rhenium(I) carbonyl complex of 4,7-diphenyl-1,10-phenanthroline–Spectroscopic properties, X-Ray structure, theoretical studies of ground and excited electronic states
Keywords: Rhenium(I) carbonyls; Phen-like ligands; Absorption and emission spectra; DFT and TD-DFT calculations
Spectroscopic and theoretical study on organic donors: DIET, DIEDO, and DIETS
Keywords: DIET; DIEDO; DIETS; DFT and TD-DFT calculations; Absorption and Raman spectroscopy