Vibrational spectra and Wavefunction investigation for antidepressant drug of Amoxapine based on quantum computational studies
S. Sarala, S. Geetha, S. Muthu, Fazilath Basha Asif
Topics & Concepts
HyperpolarizabilityNatural bond orbitalComputational chemistryAntibonding molecular orbitalChemistryDensity functional theoryFukui functionWave functionMoleculeMolecular orbitalBasis setHOMO/LUMOAtomic orbitalPhysical chemistryQuantum mechanicsElectronPhysicsOrganic chemistryPolarizabilityElectrophileCatalysisNonlinear Optical Materials ResearchStructural and Chemical Analysis of Organic and Inorganic CompoundsFree Radicals and Antioxidants