Structural, Electronic and NLO Properties of 6-aminoquinoline: A DFT/TD-DFT Study
Nupur Pandey, Mohan Singh Mehata, Sanjay Pant, Neeraj Tewari
Topics & Concepts
ChemistryBathochromic shiftHyperpolarizabilityNatural bond orbitalPolarizabilityPolarizable continuum modelDensity functional theoryHOMO/LUMOExcited stateMolecular orbitalDipoleAbsorption spectroscopyAbsorption (acoustics)Molecular electronic transitionSolvatochromismMoleculeComputational chemistryMolecular physicsAtomic physicsSolvationFluorescenceOpticsOrganic chemistryPhysicsNonlinear Optical Materials ResearchChemical synthesis and pharmacological studiesPhotochemistry and Electron Transfer Studies