Rényi's divergence as a chemical similarity criterion

DOI10.1007/S10910-021-01307-6MaRDI QIDQ2072229zbMATH OpenOpenAlexFDO

Authors Nelson Flores-Gallegos

Publication date 26 January 2022

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

Full work available at URL https://doi.org/10.1007/s10910-021-01307-6

zbMATH Keywords

chemical reactivitychemical similarityRényi's divergenceRényi's entropy

Mathematics Subject Classification ID

Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Classical flows, reactions, etc. in chemistry (92E20)

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Cites work

• \(q\)-Rényi's entropy as a possible measure of electron correlation
• A Mathematical Theory of Communication
• Fisher information and Rényi dimensions: a thermodynamical formalism
• Fisher information and Rényi entropies in dynamical systems
• Fisher-Rényi entropy product and information plane
• scientific article; zbMATH DE number 3173999 (Why is no real title available?)
• scientific article; zbMATH DE number 3284914 (Why is no real title available?)
• scientific article; zbMATH DE number 3103174 (Why is no real title available?)
• Maximum Rényi entropy principle and the generalized Thomas-Fermi model
• On Information and Sufficiency
• Possible generalization of Boltzmann-Gibbs statistics.
• Rényi Divergence and Kullback-Leibler Divergence
• Rényi entropy and quantum phase transition in the Dicke model
• Rényi entropy of the U(3) vibron model
• Rényi information of atoms
• Rényi-Fisher entropy product as a marker of topological phase transitions

Cited in

(6)

• On the information balance in a simple chemical process
• An approach to local electron energy in atoms through Rényi's entropy
• An approach to Hammond's principle through Kullback-Leibler's entropy
• A new manner to use application of Shannon entropy in similarity computation
• A new approach of Rényi's information measures
• q-Rényi's divergence as a possible chemical similarity criterion

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Uses Software

• GAUSSIAN

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