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STANDARD HEATS OF FORMATION OF 2,2-DIMETHOXYPROPANE (l), AND 2,2-DIETHOXYPROPANE (l). GROUP ADDITIVITY THEORY AND CALCULATED HEATS OF FORMATION OF FIVE KETALS

✍ Scribed by Stern, J. H.; Dorer, F. H.

Book ID
115510546
Publisher
American Chemical Society
Year
1962
Tongue
English
Weight
420 KB
Volume
66
Category
Article
ISSN
0022-3654

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Heats of formation of organic molecules
Heats of formation of organic molecules calculated by density functional theory: II. Alkanes
✍ Labanowski, Jan; Schmitz, Lawrence; Chen, Kuo-Hsiang; Allinger, Norman L. πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 160 KB πŸ‘ 2 views

Heats of formation of alkanes have been calculated with an accuracy of better than 0.36 kcalrmol by using the total energy calculated by density functional theory, plus bond and group equivalents and statistical mechanical corrections. The necessary equivalents were assigned to bonds and groups in m