Bulletin of the Chemical Society of Japan · 1972 · 18 citations · 21 references
Natural SciencesChemistryPhysicsOrganic ChemistryQuantum ChemistrySpectroscopyAb Initio MethodsComputational Quantum ChemistryElectronic Excited StatesElectronic SpectroscopyMolecular Excited StatesMolecular Orbital TheoryAromatic Electronic EffectsAromatic HydrocarbonsElectronic Absorption SpectraElectronic Structure AnalysisExcited Electronic StatesExcited StatesNuclear Excited StatesQuantum Chemical Spectra Calculation
Abstract CNDO calculations of the excited states were performed on the first three members of paraffinic hydrocarbons—methane, ethane, and propane, and on three compounds of saturated three-membered rings—cyclopropane, ethylenimine, and ethylene oxide. The method gives a reasonable interpretation of the electronic spectra of both kinds of compounds.
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