Multi spectroscopic and computational investigations on the electronic structure of oxyclozanide
S. Selvaraj, A. Ram Kumar, T. Ahilan, M. Kesavan, S. Gunasekaran, S. Kumaresan
Topics & Concepts
Natural bond orbitalChemistryMulliken population analysisDensity functional theoryHOMO/LUMOHyperpolarizabilityMolecular orbitalComputational chemistryBasis setPhysical chemistryIntermolecular forceMolecular geometryMoleculeOrganic chemistryPolarizabilityFree Radicals and AntioxidantsSolid-state spectroscopy and crystallographyNonlinear Optical Materials Research