Acyclic molecules with greatest HOMO-LUMO separation

DOI10.1016/S0166-218X(99)00119-5zbMath0937.05074OpenAlexW1998820560MaRDI QIDQ1961242

Chang An, Fu Ji Zhang

Publication date: 7 March 2000

Published in: Discrete Applied Mathematics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/s0166-218x(99)00119-5

zbMATH Keywords

eigenvalueperfect matchingacyclic Kekulean moleculescontracted tree

Mathematics Subject Classification ID

Applications of graph theory (05C90) Graphs and linear algebra (matrices, eigenvalues, etc.) (05C50) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Related Items (6)

Ordering graphs with small index and its application ⋮ Graph invertibility and median eigenvalues ⋮ Toroidal fullerenes with the Cayley graph structures ⋮ On the smallest positive eigenvalue of bipartite graphs with a unique perfect matching ⋮ The cospectral equivalence classes of graphs having an isolated vertex ⋮ On construction of upper and lower bounds for the HOMO-LUMO spectral gap

Cites Work

• Unnamed Item
• Inverses of trees
• Bounds for the smallest positive eigenvalues of trees with perfect matchings
• Topological approach to the chemistry of conjugated molecules

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