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Spin‐Forbidden Branching in the Mechanism of the Intrinsic Haber–Weiss Reaction
The mechanism of the O(2) (⋅−) and H(2)O(2) reaction (Haber–Weiss) under solvent‐free conditions has been characterized at the DFT and CCSD(T) level of theory to account for the ease of this reaction in the gas phase and the formation of two different set of products (Blanksby et al., Angew. Chem. I...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley and Sons Inc.
2017
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5474656/ https://www.ncbi.nlm.nih.gov/pubmed/28638768 http://dx.doi.org/10.1002/open.201600169 |