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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.
ab initio --- Transition state theory --- Thermochemistry --- DFT --- Dioxin --- Dibenzofuran --- Groupe additivity --- Kinetics --- QRRK --- Isodesmic reactions
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Food science and technology --- #ECO:04.10:sectoren landbouw --- 547.7 --- 615.9 --- 502.55 --- 671 Gezondheidszorg. Preventie --- Voeding --- Agrotechnology and Food Sciences. Food Sciences --- Meat --- Food Quality and Safety --- Meat. --- Food Quality and Safety. --- DIOXIN --- BELGIUM --- Dioxine crisis --- Monograph --- 920 --- voeding --- vlees --- dioxine --- België 20ste eeuw --- geschiedenis België --- histoire Belgique
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