Theoretical and experimental spectroscopic studies and analysis for wave function on N-phenylmorpholine-4-carboxamide benzene-1,2-diamine with computational techniques
Ranjith Balu, Anthoniammal Panneerselvam, Gautham Devendrapandi, Jothi Ramalingam Rajabathar, Hamad A. Al‐Lohedan, Daifallah M. Aldhayan
Topics & Concepts
Natural bond orbitalChemistryDensity functional theoryDihedral angleBasis setHOMO/LUMOComputational chemistryBond lengthMulliken population analysisFukui functionCharge densityPopulationPhysical chemistryMoleculeHydrogen bondPhysicsOrganic chemistryQuantum mechanicsCatalysisDemographySociologyElectrophileNonlinear Optical Materials ResearchFree Radicals and AntioxidantsPhotochemistry and Electron Transfer Studies