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Theoretical quantum study about the adsorption of BH4 - onto X(100) where (X = Cu, Ag and Au)
In present work we analyzed some electronic properties involved during the adsorption of BH4 - on Cu(100), Ag(100) and Au(100) surfaces. Reactivity descriptors such as ionization energy, hardness, electrophilicity, frontier molecular orbitals, condensed Fukui function, adsorption energies and densit...
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| Pubblicato in: | Journal of the Mexican Chemical Society |
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| Autori principali: | , , , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
Sociedad Química de México
2012
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| Soggetti: | |
| Accesso online: | https://www.redalyc.org/articulo.oa?id=47524533012 |
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