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Bounding the HL-index of a graph: a majorization approach

In mathematical chemistry, the median eigenvalues of the adjacency matrix of a molecular graph are strictly related to orbital energies and molecular orbitals. In this regard, the difference between the occupied orbital of highest energy (HOMO) and the unoccupied orbital of lowest energy (LUMO) has...

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Detalles Bibliográficos
Autores principales: Clemente, Gian Paolo, Cornaro, Alessandra
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5196019/
https://www.ncbi.nlm.nih.gov/pubmed/28090153
http://dx.doi.org/10.1186/s13660-016-1234-6