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Estimation of O-H bond dissociation energies in alcohols and acids from kinetic data

โœ Scribed by T. G. Denisova; E. T. Denisov


Book ID
110170701
Publisher
Springer
Year
2006
Tongue
English
Weight
176 KB
Volume
47
Category
Article
ISSN
0023-1584

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Bond dissociation energies for removal o
โœ Jun Zhao; Hui Zeng; Xinlu Cheng ๐Ÿ“‚ Article ๐Ÿ“… 2011 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 102 KB

## Abstract In this theoretical work, 22 alcohols and their geometric structure properties have been investigated employing quantum chemical methods to calculate the C๏ฃฟOH equilibrium bond distances and bond dissociation energies (BDEs). Since DFT methods have been researched to have low basis sets