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Theoretical insight into OH- and Cl-initiated oxidation of CF(3)OCH(CF(3))(2) and CF(3)OCF(2)CF(2)H & fate of CF(3)OC(X•)(CF(3))(2) and CF(3)OCF(2)CF(2)X• radicals (X=O, O(2))
In this study, the mechanistic and kinetic analysis for reactions of CF(3)OCH(CF(3))(2) and CF(3)OCF(2)CF(2)H with OH radicals and Cl atoms have been performed at the CCSD(T)//B3LYP/6-311++G(d,p) level. Kinetic isotope effects for reactions CF(3)OCH(CF(3))(2)/CF(3)OCD(CF(3))(2) and CF(3)OCF(2)CF(2)H...
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| Опубликовано в: : | Sci Rep |
|---|---|
| Главные авторы: | , , , , |
| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
Nature Publishing Group
2017
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| Предметы: | |
| Online-ссылка: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5220334/ https://ncbi.nlm.nih.gov/pubmed/28067283 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep40264 |
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