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Theoretical Insight into the Reaction Mechanism and Kinetics for the Criegee Intermediate of anti-PhCHOO with SO(2)
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 anti-PhCHOO with SO(2) for the first time. The potential energy surfaces (PESs) have been depicted...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7412395/ https://www.ncbi.nlm.nih.gov/pubmed/32635243 http://dx.doi.org/10.3390/molecules25133041 |