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cs.CE2013★ 1 cited
Automated Identification and Classification of Stereochemistry: Chirality and Double Bond Stereoisomerism
Ana L. Teixeira, João P. Leal, Andre O Falcao
Stereoisomers have the same molecular formula and the same atom connectivity and their existence can be related to the presence of different three-dimensional arrangements. Stereoi…
cs.CE2013★ 1 cited
ThermInfo: Collecting, Retrieving, and Estimating Reliable Thermochemical Data
Ana L. Teixeira, Rui C. Santos, Joao P. Leal +2
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 ent…