The Journal of Chemical Physics · 1954 · 256 citations · 10 references
Natural SciencesChemistryPhysicsPhysical ChemistryQuantum ChemistryTheoretical ChemistryAb Initio MethodsElectronic SpectroscopyElectronic StructureMolecular Orbital TheoryMolecular SpectroscopyMolecular SymmetryElectronic Structure AnalysisElectronic Structure DeterminationElectronic Structure Of MoleculesMolecular Orbital AnalysisMolecular Orbital SymmetryQuantum Chemical ModelingQuantum Chemical Spectra CalculationSymmetry In Molecular Orbitals
It is shown how the main features of the spectra of cata-condensed hydrocarbons may be explained on the basis of a very simple model. This, so-called perimeter model was used, in its free-electron variant, by Platt in order to classify the spectra. In this note, a more quantitative version is formulated which enables calculations to be made; it may be considered as an approximation either to an antisymmetrized molecular orbital treatment or to the method of atoms in molecules.
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Classification of Spectra of Cata-Condensed Hydrocarbons
John R. Platt · The Journal of Chemical Physics · 1949 · 1.4K citations
Natural Sciences, Chemistry, Physics +16
Spectral Resemblances in Azulene and Naphthalene
D. E. Mann, John R. Platt, H. B. Klevens · The Journal of Chemical Physics · 1949 · 105 citations
Natural Sciences, Chemistry, Physics +17