Thermochemistry and Kinetics for the Oxidative Degradation of Dibenzofuran and Precursors

• Autor principal: Sebbar, Nadia (auth)
• Formato: Recurso Electrónico Capítulo de Livro
• Idioma: inglês
• Publicado em: KIT Scientific Publishing 2006
• Assuntos: Chemistry; ab initio; Transition state theory; Thermochemistry; DFT; Dioxin; Dibenzofuran; Groupe additivity; Kinetics; QRRK; Isodesmic reactions
• Acesso em linha: DOAB: download the publication; DOAB: description of the publication

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...