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Dynamical Study of the Dissociative Chemisorption of CHD(3) on Pd(111)
[Image: see text] The specific reaction parameter (SRP) approach to density functional theory has been shown to model reactions of polyatomic molecules with metal surfaces important for heterogeneous catalysis in the industry with chemical accuracy. However, transferability of the SRP functional amo...
| 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/PMC6778984/ https://www.ncbi.nlm.nih.gov/pubmed/31602282 http://dx.doi.org/10.1021/acs.jpcc.9b05757 |