Theoretical Insight into the Reaction Mechanism and Kinetics for the Criegee Intermediate of <i>anti</i>-PhCHOO with SO<sub>2</sub>
In this study, the density functional theory (DFT) and CCSD(T) method have been performed to gain insight into the possible products and detailed reaction mechanism of the Criegee intermediate (CI) of <i>anti</i>-PhCHOO with SO<sub>2</sub> for the first time. The potential energy surfaces (PESs) hav...
محفوظ في:
| المؤلفون الرئيسيون: | , |
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| التنسيق: | Artigo |
| اللغة: | Inglês |
| منشور في: |
MDPI AG
2020-07-01
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| سلاسل: | Molecules |
| الموضوعات: | |
| الوصول للمادة أونلاين: | https://www.mdpi.com/1420-3049/25/13/3041 |
| الوسوم: |
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