Molecular structure, HOMO and LUMO studies of Di(Hydroxybenzyl) diselenide by quantum chemical investigations
V. K. VERMA, Mridula Guin, Bobby Solanki, Ram Chandra Singh
Topics & Concepts
HOMO/LUMOMulliken population analysisChemical shiftDensity functional theoryMoleculeIonization energyPopulationComputational chemistryMaterials scienceChemistryPhysical chemistryIonizationOrganic chemistryIonDemographySociologyChalcogenide Semiconductor Thin FilmsNonlinear Optical Materials ResearchOrganic Chemistry Cycloaddition Reactions