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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發表在:	Journal of the Mexican Chemical Society
Principais autores:	Luis Humberto Mendoza-Huizar, Diana Elizabeth García Rodríguez, Clara Hilda Rios-Reyes, Alejandro Alatorre-Ordaz
格式:	Artigo
語言:	Inglês
出版:	Sociedad Química de México 2012
主題:	Multidisciplinaria (Ciencias Naturales y Exactas)
在線閱讀:	https://www.redalyc.org/articulo.oa?id=47524533012
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