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Please use this identifier to cite or link to this item: https://www.um.edu.mt/library/oar/handle/123456789/108049
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dc.contributor.authorSciriha, Irene-
dc.contributor.authorFowler, Patrick W.-
dc.date.accessioned2023-04-03T13:43:19Z-
dc.date.available2023-04-03T13:43:19Z-
dc.date.issued2004-
dc.identifier.citationSciriha, I., & Fowler, P. W. (2004). A spectral view of fullerenes. Mathematica Balkanica, 18, 183-192.en_GB
dc.identifier.issn02053217-
dc.identifier.urihttps://www.um.edu.mt/library/oar/handle/123456789/108049-
dc.description.abstractFullerenes, a third family of allotropes of carbon ( C), exist as large stable clusters of C atoms. The eigenvalues of the adjacency matrix A of a graph, with the same structure as a fullerene, estimate the energies of the 1r-electrons in these unsaturated systems and the eigenvectors of A model the 1r-molecular orbitals. The eigenvalue zero of A indicates the presence of NBOs with no net stabilization or destabilization. Zero energy levels are rare in fullerenes. We study the substructures in fullerenes and other trivalent polyhedra that determine the presence of the eigenvalue zero. Together with the symmetry group of the graph, they shed new light on singular graphs and on singular polyhedra in particular.en_GB
dc.language.isoenen_GB
dc.publisherBulgarian Academy of Sciences. Institute of Mathematics and Informaticsen_GB
dc.rightsinfo:eu-repo/semantics/openAccessen_GB
dc.subjectFullerenes -- Propertiesen_GB
dc.subjectMolecular orbitals -- Mathematical modelsen_GB
dc.subjectPolyhedra -- Modelsen_GB
dc.subjectSchrödinger equation -- Numerical solutionsen_GB
dc.subjectMathematics -- Charts, diagrams, etc.en_GB
dc.titleA spectral view of fullerenesen_GB
dc.typearticleen_GB
dc.rights.holderThe copyright of this work belongs to the author(s)/publisher. The rights of this work are as defined by the appropriate Copyright Legislation or as modified by any successive legislation. Users may access this work and can make use of the information contained in accordance with the Copyright Legislation provided that the author must be properly acknowledged. Further distribution or reproduction in any format is prohibited without the prior permission of the copyright holder.en_GB
dc.description.reviewedpeer-revieweden_GB
dc.publication.titleMathematica Balkanicaen_GB
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