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Graphs and thermodynamics

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Abstract

Graphs are used in many fields of chemistry for codification and model purposes. One of these fields is widely known under the acronym QSAR/QSPR, i.e., quantitative structure–activity/structure–property relationships. In chemical graph studies directed graphs, known as digraphs, i.e., graphs with a preferred direction, have mainly been used to codify chemical reaction networks. Actually, digraphs, especially directed acyclic graphs together with simple graphs, can be used to draw a metalanguage of thermodynamics that codifies rules and properties which can be used to automatically derive many well-known, and less-known, thermodynamic relationships.

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Authors and Affiliations

  1. Dipartimento di Chimica, Università della Calabria, via P. Bucci 14/C, 87036, Rende, CS, Italy

    Lionello Pogliani

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  1. Lionello Pogliani
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Correspondence to Lionello Pogliani.

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Pogliani, L. Graphs and thermodynamics. J Math Chem 46, 15–23 (2009). https://doi.org/10.1007/s10910-008-9452-x

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  • DOI: https://doi.org/10.1007/s10910-008-9452-x

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