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The mechanism for enhanced oxidation degradation of dioxin-like PCBs (PCB-77) in the atmosphere by the solvation effect
The reaction pathways of PCB-77 in the atmosphere with ·OH, O(2), NO(x), and (1)O(2) were inferred based on density functional theory calculations with the 6-31G* basis set. The structures the reactants, transition states, intermediates, and products were optimized. The energy barriers and reaction...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Springer International Publishing
2017
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5503851/ https://www.ncbi.nlm.nih.gov/pubmed/29086899 http://dx.doi.org/10.1186/s13065-017-0291-3 |