Anti-microbial activity, molecular profiling, electronic properties and molecular docking investigations of 5–[1-hydroxy–2–(isopropylamino)ethyl] benzene–1,3–diol
S. Chithra, G. Mani, Manish Kumar, S. Muthu, A. Saral, Fazilath Basha Asif, Ahmad Irfan
Topics & Concepts
ChemistryNatural bond orbitalHyperpolarizabilityComputational chemistryMoleculeHOMO/LUMODensity functional theoryBasis setFukui functionHydrogen bondMolecular orbitalCarbon-13 NMRChemical shiftDelocalized electronPhysical chemistryStereochemistryOrganic chemistryCatalysisElectrophilePolarizabilityNonlinear Optical Materials ResearchSynthesis and biological activitySynthesis and Characterization of Heterocyclic Compounds