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Publicly Available Published by De Gruyter September 7, 2011

Extension of ThermoML: The IUPAC standard for thermodynamic data communications (IUPAC Recommendations 2011)

  • Michael Frenkel , Robert D. Chirico , Vladimir Diky , Paul L. Brown , John H. Dymond , Robert N. Goldberg , Anthony R. H. Goodwin , Heiko Heerklotz , Erich Königsberger , John E. Ladbury , Kenneth N. Marsh , David P. Remeta , Stephen E. Stein , William A. Wakeham and Peter A. Williams

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 texts of 14 data files illustrating the new extensions are provided as Supplementary Information together with the complete text of the updated ThermoML schema.


Project Year: 2007, Project Code: 2007-039-1-024


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