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The influence of a single water molecule on the reaction of BrO + HO(2)
The influence of a single water molecule on the BrO + HO(2) hydrogen extraction reaction has been explored by taking advantage of CCSD(T)/aug-cc-pVTZ//B3LYP/6-311 + + G(d,p) method. The reaction in the absence of water have two distinct kinds of H-extraction channels to generate HOBr + O(2) ((1)Δ(g...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10415307/ https://www.ncbi.nlm.nih.gov/pubmed/37563169 http://dx.doi.org/10.1038/s41598-023-28783-x |