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dc.date.accessioned 2021-05-10T17:26:54Z
dc.date.available 2021-05-10T17:26:54Z
dc.date.issued 1994
dc.identifier.uri http://sedici.unlp.edu.ar/handle/10915/118616
dc.description.abstract Extended Hückel molecular-orbital calculations of CO and HO adsorbed ensembles on single-crystal Pt and Rh clusters are presented. The energy ranges related to the stability of adsorbed ensembles of the type (Me)N(CO)n(OH)m, where Me stands for Rh(100), Rh(111), Pt(100) and Pt(111), were calculated for various coordination geometries and applied potential conditions. A stability inversion potential was found for each ensemble. A correlation was obtained between the stability inversion potentials resulting from the different adsorbed ensembles and the potentials of the current peaks related to the voltammetric oxidation of CO adsorbates on Pt and Rh resulting from comparable potential perturbation conditions. en
dc.format.extent 131-144 es
dc.language en es
dc.subject Quantum chemistry es
dc.subject Carbon monoxide es
dc.subject Hückel molecular-orbital calculations es
dc.subject Adsorbed ensembles es
dc.title A quantum chemistry description of carbon monoxide and water absorbates on single-crystal rhodium and platinum clusters en
dc.type Articulo es
sedici.identifier.other https://doi.org/10.1016/0022-0728(94)87091-8 es
sedici.identifier.issn 1572-6657 es
sedici.creator.person Paredes Olivera, P. es
sedici.creator.person Estiú, Guillermina es
sedici.creator.person Castro, Eduardo Alberto es
sedici.creator.person Arvia, Alejandro Jorge es
sedici.subject.materias Ciencias Exactas es
sedici.subject.materias Química es
sedici.description.fulltext true es
mods.originInfo.place Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas es
sedici.subtype Articulo es
sedici.rights.license Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
sedici.rights.uri http://creativecommons.org/licenses/by-nc-sa/4.0/
sedici.description.peerReview peer-review es
sedici.relation.journalTitle Journal of Electroanalytical Chemistry es
sedici.relation.journalVolumeAndIssue vol. 369, no. 1-2 es


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Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) Excepto donde se diga explícitamente, este item se publica bajo la siguiente licencia Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)