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...
Tallennettuna:
| Päätekijä: | |
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| Aineistotyyppi: | Online |
| Kieli: | englanti |
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KIT Scientific Publishing
2021
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| Aiheet: | |
| Linkit: | 34333 |
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| _version_ | 1869525885691887616 |
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| author | Sebbar, Nadia |
| author_browse | Sebbar, Nadia |
| author_facet | Sebbar, Nadia |
| author_sort | Sebbar, Nadia |
| collection | Directory of Open Access Books |
| description | 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. |
| format | Online |
| id | doab-20.500.12854ir-60875 |
| institution | Directory of Open Access Books |
| language | eng |
| publishDate | 2021 |
| publishDateRange | 2021 |
| publishDateSort | 2021 |
| publisher | KIT Scientific Publishing |
| publisherStr | KIT Scientific Publishing |
| record_format | ojs |
| spelling | doab-20.500.12854ir-608752024-04-05T12:39:40Z Thermochemistry and Kinetics for the Oxidative Degradation of Dibenzofuran and Precursors Sebbar, Nadia QD1-999 ab initio Transition state theory Thermochemistry DFT Dioxin Dibenzofuran Groupe additivity Kinetics QRRK Isodesmic reactions thema EDItEUR::P Mathematics and Science::PN Chemistry 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. 2021-02-12T05:52:13Z 2021-02-12T05:52:13Z 2019-07-30 20:01:57 2006 book 34333 9783866440852 https://directory.doabooks.org/handle/20.500.12854/60875 eng image/jpeg Attribution-NonCommercial-NoDerivatives 4.0 International https://www.ksp.kit.edu/9783866440852 KIT Scientific Publishing 10.5445/KSP/1000005428 10.5445/KSP/1000005428 68fffc18-8f7b-44fa-ac7e-0b7d7d979bd2 9783866440852 VIII, 219 p. open access |
| spellingShingle | QD1-999 ab initio Transition state theory Thermochemistry DFT Dioxin Dibenzofuran Groupe additivity Kinetics QRRK Isodesmic reactions thema EDItEUR::P Mathematics and Science::PN Chemistry Sebbar, Nadia Thermochemistry and Kinetics for the Oxidative Degradation of Dibenzofuran and Precursors |
| title | Thermochemistry and Kinetics for the Oxidative Degradation of Dibenzofuran and Precursors |
| title_full | Thermochemistry and Kinetics for the Oxidative Degradation of Dibenzofuran and Precursors |
| title_fullStr | Thermochemistry and Kinetics for the Oxidative Degradation of Dibenzofuran and Precursors |
| title_full_unstemmed | Thermochemistry and Kinetics for the Oxidative Degradation of Dibenzofuran and Precursors |
| title_short | Thermochemistry and Kinetics for the Oxidative Degradation of Dibenzofuran and Precursors |
| title_sort | thermochemistry and kinetics for the oxidative degradation of dibenzofuran and precursors |
| topic | QD1-999 ab initio Transition state theory Thermochemistry DFT Dioxin Dibenzofuran Groupe additivity Kinetics QRRK Isodesmic reactions thema EDItEUR::P Mathematics and Science::PN Chemistry |
| topic_facet | QD1-999 ab initio Transition state theory Thermochemistry DFT Dioxin Dibenzofuran Groupe additivity Kinetics QRRK Isodesmic reactions thema EDItEUR::P Mathematics and Science::PN Chemistry |
| url | 34333 |
| work_keys_str_mv | AT sebbarnadia thermochemistryandkineticsfortheoxidativedegradationofdibenzofuranandprecursors |