A comparative study based on molecular structure, spectroscopic, electronic, thermodynamic and NBO analysis of some nitrogen-containing monomers
Feride Akman
Topics & Concepts
Natural bond orbitalMulliken population analysisMonomerHOMO/LUMOComonomerDelocalized electronDensity functional theoryFukui functionComputational chemistryBasis setPhysical chemistryChemistryMaterials scienceElectronic structureMoleculePolymerOrganic chemistryCatalysisElectrophileNonlinear Optical Materials ResearchPhotochemistry and Electron Transfer StudiesFullerene Chemistry and Applications