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| Campo DC | Valor | Lengua/Idioma |
|---|---|---|
| dc.provenance | CONICET | - |
| dc.creator | Fioressi, Silvina Ethel | - |
| dc.creator | Bacelo, Daniel Enrique | - |
| dc.date | 2018-06-01T14:06:38Z | - |
| dc.date | 2018-06-01T14:06:38Z | - |
| dc.date | 2017-03 | - |
| dc.date | 2018-05-31T14:39:48Z | - |
| dc.date.accessioned | 2019-04-29T15:45:11Z | - |
| dc.date.available | 2019-04-29T15:45:11Z | - |
| dc.date.issued | 2017-03 | - |
| dc.identifier | Fioressi, Silvina Ethel; Bacelo, Daniel Enrique; Structures and energetics of Be n Ge n ( n = 1–5) and Be 2 n Ge n ( n = 1–4) clusters; Taylor & Francis Ltd; Molecular Physics; 115; 13; 3-2017; 1502-1513 | - |
| dc.identifier | 0026-8976 | - |
| dc.identifier | http://hdl.handle.net/11336/46962 | - |
| dc.identifier | CONICET Digital | - |
| dc.identifier | CONICET | - |
| dc.identifier.uri | http://rodna.bn.gov.ar:8080/jspui/handle/bnmm/301133 | - |
| dc.description | Cluster geometries and energies of BenGen (n = 1–5) and Be2nGen (n = 1–4) have been examined in theoretical electronic structure calculations. Structure optimisations were carried out using DFT B3LYP/6-31G(2df) and the energies of the optimum geometries were ordered in QCISD(T) calculations. Be and Ge bond to each other and to other atoms of their own kind, creating a great variety of low-energy clusters in a variety of structural types. Comparisons of the germanide clusters with previously explored silicide and carbide structures reveal some structural similarities, but the germanides have much more in common with the beryllium silicides than with the carbides. However, germanide clusters show a greater tendency to form cage-like structures with potential in technological applications. | - |
| dc.description | Fil: Fioressi, Silvina Ethel. Universidad de Belgrano. Facultad de Ciencias Exactas y Naturales. Departamento de Química; Argentina | - |
| dc.description | Fil: Bacelo, Daniel Enrique. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad de Belgrano. Facultad de Ciencias Exactas y Naturales. Departamento de Química; Argentina | - |
| dc.format | application/pdf | - |
| dc.format | application/pdf | - |
| dc.language | eng | - |
| dc.publisher | Taylor & Francis Ltd | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/doi/https://dx.doi.org/10.1080/00268976.2017.1303204 | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/url/https://www.tandfonline.com/doi/full/10.1080/00268976.2017.1303204 | - |
| dc.rights | info:eu-repo/semantics/restrictedAccess | - |
| dc.rights | https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ | - |
| dc.source | reponame:CONICET Digital (CONICET) | - |
| dc.source | instname:Consejo Nacional de Investigaciones Científicas y Técnicas | - |
| dc.source | instacron:CONICET | - |
| dc.source.uri | http://hdl.handle.net/11336/46962 | - |
| dc.subject | Beryllium germanide | - |
| dc.subject | Density Functional Theory | - |
| dc.subject | Germanium clusters | - |
| dc.subject | Otras Ciencias Químicas | - |
| dc.subject | Ciencias Químicas | - |
| dc.subject | CIENCIAS NATURALES Y EXACTAS | - |
| dc.title | Structures and energetics of Be n Ge n ( n = 1–5) and Be 2 n Ge n ( n = 1–4) clusters | - |
| dc.type | info:eu-repo/semantics/article | - |
| dc.type | info:eu-repo/semantics/publishedVersion | - |
| dc.type | info:ar-repo/semantics/articulo | - |
| Aparece en las colecciones: | CONICET | |
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