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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...
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| Publicado no: | Molecules |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
MDPI
2020
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7412395/ https://ncbi.nlm.nih.gov/pubmed/32635243 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules25133041 |
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