Investigations of structural, vibrational and electronic properties on 5-(6-methyl-benzofuran-3-ylmethyl)-3H-[1,3,4]oxadiazole-2-thione: Experimental and computational approach
Seema S. Khemalapure, Sudhir M. Hiremath, Chidanandayya S. Hiremath, Vinay S. Katti, Mahanthesh M. Basanagouda
Topics & Concepts
HyperpolarizabilityNatural bond orbitalChemistryComputational chemistryHOMO/LUMOReactivity (psychology)MoleculePolarizabilityBasis setDipolePhysical chemistryChemical shiftDelocalized electronBenzofuranRaman spectroscopyDensity functional theoryOrganic chemistryPhysicsPathologyAlternative medicineOpticsMedicineNonlinear Optical Materials ResearchStructural and Chemical Analysis of Organic and Inorganic CompoundsSynthesis and biological activity