Relating total -electron energy of benzenoid hydrocarbons with HOMO and LOMO energies

zbMATH Open1473.92098MaRDI QIDQ5165151FDOQ5165151

Authors: Izudin Redžepović, Ivan Gutman, B. Furtula 

Publication date: 15 November 2021

Full work available at URL: https://match.pmf.kg.ac.rs/electronic_versions/Match84/n1/match84n1_229-237.pdf

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Mathematics Subject Classification ID

Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Chemical graph theory (05C92)

Cited In (11)

• Theoretical model for the polarization molecular and Hückel treatment of phosphocyclopentadiene in an external electric field: Hirschfeld study
• Comparative study on structural sensitivity of eigenvalue-based molecular descriptors
• Fully-angular polyhex chains with minimal total \(\pi\)-electron energy
• General theory of cycle-dependence of total \(\pi\)-electron energy
• Title not available (Why is that?)
• Sharp upper bounds for total \(\pi\)-electron energy of alternant hydrocarbons
• Title not available (Why is that?)
• The electron density function of the Hückel (tight-binding) model
• Comparing momenta and \(\pi\)-electron energy of benzenoid molecules
• Two mathematical papers relevant for the Hückel molecular orbital theory
• Correlation between Fourier series expansion and Hückel orbital theory

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