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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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| Publicado no: | ACS Omega |
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| Autor principal: | |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical Society
2020
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6977253/ https://ncbi.nlm.nih.gov/pubmed/31984285 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.9b03845 |
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