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Chemical insights into the atmospheric oxidation of thiophene by hydroperoxyl radical
The reaction mechanisms and kinetics of thiophene oxidation reactions initiated by hydroperoxyl radical, and decomposition of the related intermediates and complexes, have been considered herein by using high-level DFT and ab initio calculations. The main energetic parameters of all stationary point...
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| Publicado no: | Sci Rep |
|---|---|
| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group UK
2021
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8219665/ https://ncbi.nlm.nih.gov/pubmed/34158534 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-021-92221-z |
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