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Role of Intermediate Dynamics in Controlling Hydrogenation Selectivity by Heterogeneous Catalysis
[Image: see text] Selectivity in heterogeneous catalysis is essential while being the most difficult parameters to obtain from theoretical simulations. Although theory holds the key for catalytic design, in the search of complex reaction networks, intermediates are considered static and different co...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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American Chemical Society
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6977253/ https://www.ncbi.nlm.nih.gov/pubmed/31984285 http://dx.doi.org/10.1021/acsomega.9b03845 |