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Thermochemistry and Kinetics for the Oxidative Degradation of Dibenzofuran and Precursors

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ISBN: 9783866440852 Year: Pages: VIII, 219 p. DOI: 10.5445/KSP/1000005428 Language: ENGLISH
Publisher: KIT Scientific Publishing
Subject: Chemistry (General)
Added to DOAB on : 2019-07-30 20:01:57
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Abstract

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.

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