NIST-JANAF Thermochemical Tables. I. Ten Organic Molecules Related to Atmospheric Chemistry

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 http://hdl.handle.net/11603/26251

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UMBC Chemistry & Biochemistry Department
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2001-07-12

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journal articles
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Dorofeeva, O. V., Vladimir P. Novikov and David B. Neumann. "NIST-JANAF Thermochemical Tables. I. Ten Organic Molecules Related to Atmospheric Chemistry." Journal of Physical and Chemical Reference Data 30, 475 (12 July 2001). https://doi.org/10.1063/1.1364518

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This work was written as part of one of the author's official duties as an Employee of the United States Government and is therefore a work of the United States Government. In accordance with 17 U.S.C. 105, no copyright protection is available for such works under U.S. Law.
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Abstract

The structural, spectroscopic, and thermodynamic properties of 10 gas phase organic molecules related to atmospheric chemistry, including three peroxides and four carboxylic acids, are reviewed. The calculation of the thermochemical tables involved the critical evaluation of new spectroscopic data, enthalpy of formation determinations, and the use of recent internal rotation data. Since insufficient information to characterize all 10 molecules exists, estimation schemes were used to provide the missing experimental and theoretical data.