Experimental and theoretical Fourier transform infrared and Raman spectroscopy, density functional theory, antibacterial activity and molecular docking studies on 1-(4-methoxyphenyl)-1H-imidazole
Ceyhun Kucuk, Şenay Yurdakul, Belgin Erdem
Topics & Concepts
HOMO/LUMODensity functional theoryChemistryEnthalpyBand gapNatural bond orbitalGibbs free energyComputational chemistryRaman spectroscopyPhysical chemistryMoleculeMaterials scienceThermodynamicsOrganic chemistryPhysicsOptoelectronicsOpticsNonlinear Optical Materials ResearchSynthesis and biological activityBioactive Compounds and Antitumor Agents