articleTop 1% cited
Quantum computational, spectroscopic investigations on N-(2-((2-chloro-4,5-dicyanophenyl)amino)ethyl)-4-methylbenzenesulfonamide by DFT/TD-DFT with different solvents, molecular docking and drug-likeness researches
Colloids and Surfaces A Physicochemical and Engineering Aspects · 2022 · Vol. 638 · pp. 128311–128311
Necmi Dege(Ondokuz Mayıs University)Halil Gökçe(Giresun University)Onur Erman Doĝan(Ondokuz Mayıs University)Gökhan Alpaslan(Giresun University)Tuğgan Ağar(Yeditepe University)S. MuthuYusuf Sert✉(Bozok Universitesi)
Nonlinear Optical Materials ResearchFree Radicals and AntioxidantsSynthesis and biological activityDensity functional theoryChemistryMoleculeComputational chemistryBasis setHOMO/LUMOCarbon-13 NMRLipinski's rule of fiveSolvationProton NMR
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References
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