Thermochemistry and Kinetics for the Oxidative Degradation of Dibenzofuran and Precursors
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...
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| Format: | Electronic Book Chapter |
| Language: | English |
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KIT Scientific Publishing
2006
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| Online Access: | DOAB: download the publication DOAB: description of the publication |
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| 100 | 1 | |a Sebbar, Nadia |4 auth | |
| 245 | 1 | 0 | |a Thermochemistry and Kinetics for the Oxidative Degradation of Dibenzofuran and Precursors |
| 260 | |b KIT Scientific Publishing |c 2006 | ||
| 300 | |a 1 electronic resource (VIII, 219 p. p.) | ||
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| 338 | |a online resource |b cr |2 rdacarrier | ||
| 506 | 0 | |a Open Access |2 star |f Unrestricted online access | |
| 520 | |a 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. | ||
| 540 | |a Creative Commons |f https://creativecommons.org/licenses/by-nc-nd/4.0/ |2 cc |4 https://creativecommons.org/licenses/by-nc-nd/4.0/ | ||
| 546 | |a English | ||
| 650 | 7 | |a Chemistry |2 bicssc | |
| 653 | |a ab initio | ||
| 653 | |a Transition state theory | ||
| 653 | |a Thermochemistry | ||
| 653 | |a DFT | ||
| 653 | |a Dioxin | ||
| 653 | |a Dibenzofuran | ||
| 653 | |a Groupe additivity | ||
| 653 | |a Kinetics | ||
| 653 | |a QRRK | ||
| 653 | |a Isodesmic reactions | ||
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| 856 | 4 | 0 | |a www.oapen.org |u https://directory.doabooks.org/handle/20.500.12854/60875 |7 0 |z DOAB: description of the publication |