Thermochemistry and Kinetics for the Oxidative Degradation of Dibenzofuran and Precursors

• Autore: Sebbar Nadia
• Pubblicazione: KIT Scientific Publishing, 2006
• Descrizione fisica: 1 electronic resource (VIII, 219 p. p.)
• Soggetto non controllato: ab initio; Transition state theory; Thermochemistry; DFT; Dioxin; Dibenzofuran; Groupe additivity; Kinetics; QRRK; Isodesmic reactions
• Sommario/riassunto: The emission of dibenzofurans and dioxins from industrial processes is a major environmental concern. Focussing on dibenzofuran, this study tend to improve our understanding of the general oxidation chemistry and to provide a mechanism suitable for future modelling studies.Based on quantum chemical methods, energies, chemical structures and reactions are calculated numerically. Not only stable molecules and radicals, but also transition states are reported in this work.
• Titolo autorizzato: Thermochemistry and Kinetics for the Oxidative Degradation of Dibenzofuran and Precursors
• ISBN: 1000005428
• Formato: Materiale a stampa
• Livello bibliografico: Monografia
• Lingua di pubblicazione: Inglese
• Record Nr.: 9910346944403321
• Lo trovi qui: Univ. Federico II