Unbalanced Reaction - Active Thermochemical Tables
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Selected ATcT [1, 2] enthalpy of formation based on version 1.122 of the Thermochemical Network [3] This version of ATcT results was partially described in Ruscic et al. [4], and was also used for the initial development of high-accuracy ANLn composite electronic structure methods [5]. | ||||||||||||||||||||||||||||||||||||||||||||
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References | ||||||||||||||||||||||||||||||||||||||||||||
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Formula | ||||||||||||||||||||||||||||||||||||||||||||
The aggregate state is given in parentheses following the formula, such as: g - gas-phase, cr - crystal, l - liquid, etc. | ||||||||||||||||||||||||||||||||||||||||||||
Uncertainties | ||||||||||||||||||||||||||||||||||||||||||||
The listed uncertainties correspond to estimated 95% confidence limits, as customary in thermochemistry (see, for example, Ruscic [6]). Note that an uncertainty of ± 0.000 kJ/mol indicates that the estimated uncertainty is < ± 0.0005 kJ/mol. | ||||||||||||||||||||||||||||||||||||||||||||
Website Functionality Credits | ||||||||||||||||||||||||||||||||||||||||||||
The reorganization of the website was developed and implemented by David H. Bross (ANL). The find function is based on the complete Species Dictionary entries for the appropriate version of the ATcT TN. The molecule images are rendered by Indigo-depict. The XYZ renderings are based on Jmol: an open-source Java viewer for chemical structures in 3D. http://www.jmol.org/. | ||||||||||||||||||||||||||||||||||||||||||||
Acknowledgement | ||||||||||||||||||||||||||||||||||||||||||||
This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences under Contract No. DE-AC02-06CH11357. |
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