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...
Sábháilte in:
| Príomhchruthaitheoirí: | , |
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| Formáid: | Artigo |
| Teanga: | Inglês |
| Foilsithe / Cruthaithe: |
MDPI AG
2020-07-01
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| Sraith: | Molecules |
| Ábhair: | |
| Rochtain ar líne: | https://www.mdpi.com/1420-3049/25/13/3041 |
| Clibeanna: |
Níl clibeanna ann, Bí ar an gcéad duine le clib a chur leis an taifead seo!
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