An approach to chemical hardness through Shannon's entropy

DOI10.1007/S10910-023-01488-2MaRDI QIDQ6168213zbMATH OpenOpenAlexFDO

Authors Nelson Flores-Gallegos, L. Flores-Gómez

Publication date 8 August 2023

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

Full work available at URL https://doi.org/10.1007/s10910-023-01488-2

zbMATH Keywords

hardnessmoleculesShannon's entropy

Mathematics Subject Classification ID

Chemistry (general) in thermodynamics and heat transfer (80A50) Quantum entropies (81P17) Molecular physics (81V55) Coding theorems (Shannon theory) (94A24)

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Cites work

• \(q\)-Rényi's entropy as a possible measure of electron correlation
• A Mathematical Theory of Communication
• A possible generalization Shannon's entropy using \(q\)-calculus
• Entropic bond descriptors from separated output-reduced communication channels in atomic orbital resolution
• Entropic descriptors of quantum communications in molecules
• Entropy/information descriptors of the chemical bond revisited
• scientific article; zbMATH DE number 3000869 (Why is no real title available?)
• scientific article; zbMATH DE number 3018894 (Why is no real title available?)
• On the implicit bond-dependency origins of bridge interactions
• Through-space and through-bridge components of chemical bonds

Cited in

(4)

• Hess' law requires modified mathematical rules for information entropy of interdependent chemical reactions
• An analysis of the torquoselectivity effect in a ring-opening reaction through Fermi-Dirac's entropy: revealing the origin of the stereoselectivity.
• An approach to Hammond's principle through Kullback-Leibler's entropy
• A new approach of Rényi's information measures

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