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ThermInfo: Collecting, Retrieving, and Estimating Reliable Thermochemical Data

Teixeira, Ana L.; Santos, Rui C.; Leal, João P.; Martinho Simões, José A.; Falcao, Andre O

Standard enthalpies of formation are used for assessing the efficiency and safety of chemical processes in the chemical industry. However, the number of compounds for which the enthalpies of formation are available is many orders of magnitude smaller than the number of known compounds. Thermochemical data prediction methods are therefore clearly needed. Several commercial and free chemical databases are current...

Date: 2013   |   Origin: Repositório da Universidade de Lisboa
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