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کلمات کلیدی: DFT study
موارد یافت شده: 11
1 - A combined experimental, Hirshfeld surface analysis, and theoretical study on fac-[tri(azido)(tris(2-pyridyl)amine)iron(III)] (چکیده)2 - Synthesis and DFT Study on Hantzsch Reaction to Produce Asymmetrical Compounds of 1,4-Dihydropyridine Derivatives for P-Glycoprotein Inhibition as Anticancer Agent (چکیده)
3 - Theoretical study of the adsorption of carbon dioxide on nanostructured nickel catalysts (چکیده)
4 - Effect of Particle Size on the Adsorption of carbon monoxide on Cobalt: A Density-Functional Theory Study (چکیده)
5 - Synthesis and Characterization of a Cobalt (II) Complex with N, N/, N// -Tris ( 2-pyrimidinyl) Dimethylentriamine (چکیده)
6 - Rationalization of noncovalent interactions within six new MII/8-aminoquinoline supramolecular complexes (MII = Mn, Cu, and Cd): A combined experimental and theoretical DFT study (چکیده)
7 - Effect of t-butyl substitutions in β position on the enol-keto equilibrium and intramolecular hydrogen bond strength of β-dicarbonyl: A vibrational spectroscopy and DFT study (چکیده)
8 - The structure study of 1,3-diaryl-3H-benzo[f]chromenes (چکیده)
9 - Structure and vibrational assignment of bis(benzoylacetone)copper(II) (چکیده)
10 - Structure of 2,4,5-triphenyl-1H-Imidazole and the substitution effect of F, Cl, and OH groups in para position of 2-Ph ring; A DFT study (چکیده)
11 - Synthesis, spectroscopy, DFT and crystal structure investigations of 3-methoxy-2-hydroxybenzaldehyde S-ethylisothiosemicarbazone and its Ni(II) and Mo(VI) complexes (چکیده)
