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Group Additivity Values for Estimating the Enthalpy of Formation of Organic Compounds: An Update and Reappraisal. 2. C, H, N, O, S, and Halogens

โœ Scribed by Holmes, John L.; Aubry, Christiane


Book ID
120300112
Publisher
American Chemical Society
Year
2012
Tongue
English
Weight
363 KB
Volume
116
Category
Article
ISSN
1089-5639

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โœ C. F. Wilcox; S. O. Russo ๐Ÿ“‚ Article ๐Ÿ“… 2001 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 99 KB

## Abstract Wilcox et al. (THEOCHEM 2000, 528, 95; THEOCHEM 2001, 538, 67) have developed a fast running ab initio model based on the B3LYP/6โ€31G(d,p) model supplemented with parametric corrections for C,H,N atoms; the model proved to be sufficiently accurate to be useful in unraveling complicated