An estimation of HOMO–LUMO gap for a class of molecular graphs
نویسندگان
چکیده
Abstract For any simple connected graph G of order n , having eigen spectrum μ 1 ≥ 2 ⋯ with middle eigenvalues H and L where = ⌊( + 1)/2⌋ ⌈( 1)/2⌉, the HOMO–LUMO gap is defined as Δ . In this article, a upper bound for corresponding to special class bipartite graphs estimated. As an application, bounds certain classes nanotubes nanotori are
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ژورنال
عنوان ژورنال: Main Group Metal Chemistry
سال: 2022
ISSN: ['0792-1241', '2191-0219']
DOI: https://doi.org/10.1515/mgmc-2022-0011