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  2. University of Kragujevac
  3. Faculty of Science, Kragujevac
Please use this identifier to cite or link to this item: https://scidar.kg.ac.rs/handle/123456789/16858
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dc.contributor.authorRedžepović, Izudin-
dc.contributor.authorFurtula, Boris-
dc.contributor.authorGutman, Ivan-
dc.date.accessioned2023-03-01T09:24:18Z-
dc.date.available2023-03-01T09:24:18Z-
dc.date.issued2020-
dc.identifier.issn0340-6253en_US
dc.identifier.urihttps://scidar.kg.ac.rs/handle/123456789/16858-
dc.description.abstractWithin the Huckel molecular orbital model, the total π-electron energy, Eπ, the highest occupied molecular orbital (HOMO) energy, EHOMO, and the lowest occupied molecular orbital (LOMO) energy, ELOMO, can be expressed in terms of eigenvalues of the adjacency matrix of the underlying molecular graph. In this paper, relations between Eπ, EHOMO, and ELOMO are examined. Approximate expressions are established, relating Eπ with EHOMO and ELOMO in the case of benzenoid hydrocarbons.en_US
dc.language.isoenen_US
dc.publisherUniversity of Kragujevac, Faculty of Scienceen_US
dc.relation.ispartofMATCH Communications in Mathematical and in Computer Chemistryen_US
dc.subjecttotal π-electron energyen_US
dc.subjectEHOMOen_US
dc.subjectELOMOen_US
dc.subjectbenzenoid hydrocarbonsen_US
dc.titleRelating total 𝜋-electron energy of benzenoid hydrocarbons with HOMO and LOMO energiesen_US
dc.typearticleen_US
dc.description.versionPublisheden_US
dc.type.versionPublishedVersionen_US
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