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First-principles quantum dynamical theory for the dissociative chemisorption of H(2)O on rigid Cu(111)
Despite significant progress made in the past decades, it remains extremely challenging to investigate the dissociative chemisorption dynamics of molecular species on surfaces at a full-dimensional quantum mechanical level, in particular for polyatomic-surface reactions. Here we report, to the best...
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| Publicado no: | Nat Commun |
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| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group
2016
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4906410/ https://ncbi.nlm.nih.gov/pubmed/27283908 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/ncomms11953 |
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