Mostrar el registro sencillo del ítem

dc.contributor.author
Fioressi, Silvina Ethel  
dc.contributor.author
Bacelo, Daniel Enrique  
dc.contributor.author
Binning, R. C.  
dc.date.available
2023-04-28T11:09:43Z  
dc.date.issued
2012-06  
dc.identifier.citation
Fioressi, Silvina Ethel; Bacelo, Daniel Enrique; Binning, R. C.; A DFT study of dodecahedral beryllium silicide cage clusters; Elsevier Science; Chemical Physics Letters; 537; 6-2012; 75-79  
dc.identifier.issn
0009-2614  
dc.identifier.uri
http://hdl.handle.net/11336/195756  
dc.description.abstract
Density functional theory calculations have been conducted on 20- and 32-atom dodecahedral and facecapped dodecahedral cage clusters of beryllium and silicon. Stable Be24Si8, Be12Si8 and Be12Si20 cages are described, as is a stuffed cluster consisting of dodecahedral Si20 with an endohedral icosahedral Be12. Especial stability is associated with clusters in which faces are capped by silicon atoms, acting as electron donors to beryllium atoms.  
dc.format
application/pdf  
dc.language.iso
eng  
dc.publisher
Elsevier Science  
dc.rights
info:eu-repo/semantics/openAccess  
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/  
dc.subject
DFT  
dc.subject
beryllium silicide  
dc.subject
cage clusters  
dc.subject.classification
Química Inorgánica y Nuclear  
dc.subject.classification
Ciencias Químicas  
dc.subject.classification
CIENCIAS NATURALES Y EXACTAS  
dc.title
A DFT study of dodecahedral beryllium silicide cage clusters  
dc.type
info:eu-repo/semantics/article  
dc.type
info:ar-repo/semantics/artículo  
dc.type
info:eu-repo/semantics/publishedVersion  
dc.date.updated
2023-04-27T13:00:32Z  
dc.journal.volume
537  
dc.journal.pagination
75-79  
dc.journal.pais
Países Bajos  
dc.journal.ciudad
Amsterdam  
dc.description.fil
Fil: Fioressi, Silvina Ethel. Universidad de Belgrano. Facultad de Ciencias Exactas y Naturales. Departamento de Química; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina  
dc.description.fil
Fil: Bacelo, Daniel Enrique. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de la Patagonia "San Juan Bosco"; Argentina  
dc.description.fil
Fil: Binning, R. C.. Universidad Metropolitana; Estados Unidos  
dc.journal.title
Chemical Physics Letters  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/abs/pii/S000926141200468X  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.cplett.2012.04.002  

Archivos asociados
Thumbnail
 
Tamaño: 533.8Kb
Formato: PDF
.