๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

A Gaussian-3X Prediction on the Enthalpies of Formation of Chlorinated Phenols and Dibenzo- p -dioxins

โœ Scribed by Wang, Liming; Heard, Dwayne E.; Pilling, Mike J.; Seakins, Paul


Book ID
127132891
Publisher
American Chemical Society
Year
2008
Tongue
English
Weight
84 KB
Volume
112
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Bond dissociation enthalpies in chlorina
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