Bond dissociation enthalpies in chlorina
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Liming Wang; Aili Tang
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Article
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2010
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John Wiley and Sons
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English
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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