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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...
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| Publicado no: | J Phys Chem C Nanomater Interfaces |
|---|---|
| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American
Chemical Society
2019
|
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6488140/ https://ncbi.nlm.nih.gov/pubmed/31049122 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcc.9b00981 |
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