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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...

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Detalles Bibliográficos
Autores principales:	Zhang, Peng, Ma, Lu, Zhao, Meilian, Sun, Yuxi, Chen, Wanping, Zhang, Yunju
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2023
Materias:	Article
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

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