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Author | dc.contributor.author | Tiznado, William | |
Author | dc.contributor.author | Ona, Ofelia B. | |
Author | dc.contributor.author | Bazterra, Víctor E. | |
Author | dc.contributor.author | Caputo, María C. | |
Author | dc.contributor.author | Facelli, Julio C. | |
Author | dc.contributor.author | Ferraro, Marta B. | |
Author | dc.contributor.author | Fuentealba Rosas, Patricio | |
Admission date | dc.date.accessioned | 2018-12-20T14:11:21Z | |
Available date | dc.date.available | 2018-12-20T14:11:21Z | |
Publication date | dc.date.issued | 2005 | |
Cita de ítem | dc.identifier.citation | Journal of Chemical Physics, Volumen 123, Issue 21, 2018, | |
Identifier | dc.identifier.issn | 00219606 | |
Identifier | dc.identifier.other | 10.1063/1.2128675 | |
Identifier | dc.identifier.uri | https://repositorio.uchile.cl/handle/2250/154577 | |
Abstract | dc.description.abstract | A recently proposed local Fukui function is used to predict the binding site of atomic hydrogen on silicon clusters. To validate the predictions, an extensive search for the more stable Sin H (n=3-10) clusters has been done using a modified genetic algorithm. In all cases, the isomer predicted by the Fukui function is found by the search, but it is not always the most stable one. It is discussed that in the cases where the geometrical structure of the bare silicon cluster suffers a considerable change due to the addition of one hydrogen atom, the situation is more complicated and the relaxation effects should be considered. © 2005 American Institute of Physics. | |
Lenguage | dc.language.iso | en | |
Type of license | dc.rights | Attribution-NonCommercial-NoDerivs 3.0 Chile | |
Link to License | dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/3.0/cl/ | |
Source | dc.source | Journal of Chemical Physics | |
Keywords | dc.subject | Physics and Astronomy (all) | |
Keywords | dc.subject | Physical and Theoretical Chemistry | |
Título | dc.title | Theoretical study of the adsorption of H on Si n clusters, (n=3-10) | |
Document type | dc.type | Artículo de revista | |
dcterms.accessRights | dcterms.accessRights | Acceso Abierto | |
Cataloguer | uchile.catalogador | SCOPUS | |
Indexation | uchile.index | Artículo de publicación SCOPUS | |
uchile.cosecha | uchile.cosecha | SI | |
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