Structural and vibrational spectral contributions to the nonlinear optical properties of 2-Amino-3-nitropyridinium 4-hydroxybenzenesulfonate: A DFT study
P.V. Sreelaja, C. Ravikumar
Topics & Concepts
ChemistryPolarizabilityNatural bond orbitalMolecular orbitalHyperpolarizabilityComputational chemistryDipoleMolecular physicsDensity functional theoryAtomic orbitalGaussianMolecular geometryRaman spectroscopyMoleculeQuantum mechanicsElectronPhysicsOrganic chemistryNonlinear Optical Materials ResearchChemical synthesis and pharmacological studiesFree Radicals and Antioxidants