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Toplam kayıt 45, listelenen: 41-45
A comparative theoretical study of three isomeric benzotriazolylpropanamides
(Scientific Publishers, 2022)
Structural, vibrational and molecular electrostatic potential of the isomeric benzotriazolylpropanamides (2-methyl-3-(1H-benzotriazol-1-yl)propanamide, 2-methyl-3-(2H-benzotriazol-2-yl)propanamide and N,N-dimethyl-3-(1H- ...
Comparative structural, spectroscopic and nonlinear optical analysis of a Schiff base compound with experimental and theoretical methods (HF, B3LYP and WB97X-D)
(Elsevier Gmbh, 2021)
A novel Schiff base compound (E)-N-((2-iodophenyl)-1-(5-nitrothiophen-2-yl)methanimine has been synthesized. The structural characterization of Schiff base compound are confirmed by single crystal X-ray, FT-IR, and UV-vis ...
Experimental and theoretical investigations, enzyme inhibition activity and docking study of 5-methyl-4-(2-(piperazin-1-yl)ethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
(Elsevier, 2023)
5-methyl-4-(2-(piperazin-1-yl)ethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (I), title compound was synthe-sized and characterized by FTIR, NMR ( 1 H-and 13 C NMR) and Mass spectroscopy. The optimized geo-metrical structure, ...
Synthesis, crystal structure and electronic applications of monocarboxylic acid substituted phthalonitrile derivatives combined with DFT studies
(Elsevier, 2021)
Monocarboxylic acid substituted phthalonitrile derivatives (PN1 and PN2) have been synthesized and their molecular geometries and hydrogen bond interactions investigated with single cystal X-ray diffraction analysis. PN1-a ...
Thio/carbohydrazone derivatives from iso(thio)/cyanates: preparation, structure elucidation, DFT studies, antimicrobial activity and DNA interactions
(Springer, 2023)
New thio/carbohydrazone derivatives (1-10) have been synthesized from various iso(thio)/cyanates. The chemical structures of synthesized compounds were elucidated with UV-Vis, IR, H-1 NMR, C-13 NMR spectroscopic methods, ...