Publication | Closed Access
Pi Electronic Structure of the Benzene Molecule
45
Citations
13
References
1963
Year
EngineeringPhysicsNatural SciencesConfiguration-interaction CalculationSpectra-structure CorrelationMolecular Orbital BasisMathematical ChemistryComputational ChemistryPi Electronic StructureQuantum ChemistryChemistryMolecular ChemistryElectronic StructureBenzene MoleculeBiophysicsMolecular Design
A configuration-interaction calculation in a molecular orbital basis has been performed for the benzene molecule. The Goeppert-Mayer and Sklar core approximation has been assumed. All three- and four-center integrals have been accurately computed.
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