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Assessment of Two Problems of Specific Reaction Parameter Density Functional Theory: Sticking and Diffraction of H(2) on Pt(111)
[Image: see text] It is important that theory is able to accurately describe dissociative chemisorption reactions on metal surfaces, as such reactions are often rate-controlling in heterogeneously catalyzed processes. Chemically accurate theoretical descriptions have recently been obtained on the ba...
| 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/PMC6488140/ https://www.ncbi.nlm.nih.gov/pubmed/31049122 http://dx.doi.org/10.1021/acs.jpcc.9b00981 |