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Computational Insights into the Mechanism of the Selective Catalytic Reduction of NO(x): Fe- versus Cu-Exchanged Zeolite Catalysts
[Image: see text] We computationally investigate the mechanism of the reduction half-cycle of the selective catalytic reduction of nitrogen oxides with ammonia. We compare both Fe- and Cu-exchanged zeolite catalysts and aim at exploring all accessible reaction pathways. From our calculations, a comp...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6545547/ https://www.ncbi.nlm.nih.gov/pubmed/31172035 http://dx.doi.org/10.1021/acsomega.9b00600 |