Extending the McClelland formula for total \(\pi \)-electron energy

DOI10.1007/S10910-017-0772-6zbMath1383.81365OpenAlexW2687449884MaRDI QIDQ1694260

Emina I. Milovanović, Slavko Radenković, Ivan Gutman, Igor Ž. Milovanović, Slađana Đorđević

Publication date: 1 February 2018

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-017-0772-6

zbMATH Keywords

total \(\pi \)-electron energyHOMO energyMcClelland formula

Mathematics Subject Classification ID

Applications of graph theory (05C90) Molecular physics (81V55) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Related Items (2)

Computing the dependence of graph energy on nullity: The method of siblings ⋮ Unnamed Item

Cites Work

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• Topological approach to the chemistry of conjugated molecules
• Median eigenvalues and the HOMO-LUMO index of graphs
• HL-index of a graph
• Maximal energy graphs

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