Experimental and simulated TD-DFT study of malachite green dye and tetrahydroquinoxaline hybrid blend: Its application removal from wastewater
Ahmed A. Geies, Gehad S. Gomaa, Samia M. Ibrahim, Ahmed F. Al‐Hossainy, Fatma K. Abdelwadoud
Topics & Concepts
ChemistryDensity functional theoryHybrid functionalFreundlich equationLangmuirHyperpolarizabilityMalachite greenLangmuir adsorption modelComputational chemistryAdsorptionPhysical chemistryPolarizable continuum modelAnalytical Chemistry (journal)PolarizabilityOrganic chemistryMoleculeSolvent effectsSolventNanomaterials for catalytic reactionsSynthesis and Biological EvaluationSynthesis of Tetrazole Derivatives