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The enthalpies of formation of brominated benzenes and phenols: A theoretical prediction

โœ Scribed by Liming Wang; Yanfen Liu

Book ID
108286113
Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
310 KB
Volume
957
Category
Article
ISSN
0166-1280

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๐Ÿ“œ SIMILAR VOLUMES

Bond dissociation enthalpies in chlorina
Bond dissociation enthalpies in chlorinated benzenes and phenols and enthalpies of formation of their free radicals: A Gaussian-4 prediction
โœ Liming Wang; Aili Tang ๐Ÿ“‚ Article ๐Ÿ“… 2010 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 100 KB

The bond dissociation enthalpies (BDEs) in chlorinated benzenes and phenols and the standard gas-phase enthalpies of formation of chlorinated phenyl and phenoxy radicals are predicted by using Gaussian-4 (G4) and Gaussian-3X (G3X) model chemistries. The predicted G4 BDEs are systematically smaller t