Journal
JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA
Volume 30, Issue 2, Pages 475-513Publisher
AMER INST PHYSICS
DOI: 10.1063/1.1364518
Keywords
critical evaluation; enthalpy of formation; group additivity method; heat capacity; internal rotation; molecular structure; normal coordinates; spectroscopic properties; thermodynamic properties; transferable force fields
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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. (C) 2001 by the U.S. Secretary of Commerce on behalf of the United States. All rights reserved.
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