Lv4
420 积分 2023-10-24 加入
Facile synthesis, crystal structure, Hirshfeld surface analysis, DFT calculations, IR and UV-visible spectra analyzes, ADMET and molecular docking studies of Arylideneisoxazolone derivatives
5个月前
已完结
New halo-enaminones as potential CNS drugs: Synthesis, characterization, DFT, NLO, molecular docking, and ADMET analysis
5个月前
已完结
Synthesis, spectral, DFT, topology, NCI and molecular docking studies of (1E,1′E)-N, N'-(sulfonylbis(4,1-phenylene))bis(1-(4-bromophenyl)methanimine)
5个月前
已完结
Synthesis, crystal structure, DFT, vibrational properties, Hirshfeld surface and antitumor activity studies of a new compound 2-(2-chloro-6-(m-tolyl)imidazo[1,2-a]pyridin-3-yl)-N,N-diethylacetamide
5个月前
已完结
Thiosemicarbazone Derivatives as Potent Antidiabetic Agents: Synthesis, In Vitro, Molecular Docking and DFT Investigations
5个月前
已完结
Structural behavior and surface layer modification of (E)-N'-((1H-indol-3-yl) methylene)-4-chlorobenzohydrazide: Spectroscopic, DFT, Biomedical Activity and Molecular Dynamic Simulation against Candida Albicans Receptor
5个月前
已完结
Synthesis, spectroscopic characterizations, TD/DFT calculations, colorimetric metal ions, and molecular docking studies of a novel 3-acetylpyridine 2-hyrdoxyphenyl thiosemicarbazone
5个月前
已完结
Synthesis, Structural Characterization, Fukui functions, DFT Calculations, Molecular docking and Biological efficiency of some novel heterocyclic systems
5个月前
已完结
Synthesis and conformational aspects of 2-phenoxytetralones: Experimental verification and density functional theory (DFT) calculation
5个月前
已完结
Synthesis, crystal and molecular structure, DFT and antifungal activity studies of (E)-2-(3-methoxy-4-((6-(trifluoromethyl)pyrimidin-4-yl)oxy)styryl)-5-((2-(trifluoromethyl)benzyl)thio)-1,3,4-oxadiazole
5个月前
已完结
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