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Publication Citation: Extension of ThermoML: The IUPAC Standard for Thermodynamic Data Communications (IUPAC Recommendations 2011)

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Author(s): Michael Frenkel; Robert D. Chirico; Vladimir Diky; Paul L. Brown; John H. Dymond; Robert N. Goldberg; Anthony R. Goodwin; Heiko Heerklotz; Erich Koenigsberger; John E. Ladbury; Kenneth N. Marsh; David P. Remeta; Stephen E. Stein; William A. Wakeham; Peter A. Williams;
Title: Extension of ThermoML: The IUPAC Standard for Thermodynamic Data Communications (IUPAC Recommendations 2011)
Published: September 07, 2011
Abstract: ThermoML is an XML-based approach for storage and exchange of experimental, predicted, and critically evaluated thermophysical and thermochemical property data. Extensions to the ThermoML schema for the representation of speciation, complex equilibria, and properties of biomaterials are described. The text of fourteen data files illustrating the new extensions are provided as Supporting Information together with the complete text of the updated ThermoML schema.
Citation: Pure and Applied Chemistry
Volume: 83
Pages: pp. 1935 - 1967
Keywords: biothermodynamics; complex equilibria; data communication standard; speciation; XML standard
Research Areas: Thermodynamics, Thermophysics, Information/Communication Technologies