Graph derivative indices interpretation from the quantum mechanics perspective

DOI10.1007/S10910-023-01489-1MaRDI QIDQ6168215zbMATH OpenFDO

Authors Ricardo Vivas-Reyes, Oscar Martínez-Santiago, Yovani Marrero-Ponce

Publication date 8 August 2023

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

Copyright license Creative Commons Attribution 4.0 International

Full work available at URL https://doi.org/10.1007/S10910-023-01489-1

zbMATH Keywords

aromaticitydiscrete derivativegraph derivative indicesHückel molecular orbitalmolecular descriptorquantum mechanicresonance energy

Mathematics Subject Classification ID

Equilibrium statistical mechanics (82Bxx) Chemistry (92Exx) Communication, information (94Axx)

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• Quantum mechanics on graphs
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Cites work

• A Mathematical Theory of Communication
• Elements of Information Theory
• Graph energy
• Information Theory and Statistical Mechanics
• Theoretical model for the polarization molecular and Hückel treatment of phosphocyclopentadiene in an external electric field: Hirschfeld study

Cited in

(1)

• Contrasting aromaticity and electronic properties of zigzag fibonapolyacene versus linear polyacene nanobelts through delta, characteristic and matching polynomials

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