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dc.date.accessioned 2021-05-10T19:15:34Z
dc.date.available 2021-05-10T19:15:34Z
dc.date.issued 1990
dc.identifier.uri http://sedici.unlp.edu.ar/handle/10915/118627
dc.description.abstract A molecular-orbital interpretation of the electro-oxidation of CO adsorbed on Rh(111) single-crystal clusters in the presence of H2O is described. Calculations were based on the atom super-position and electron delocalization method. Different stabilization energies for ensembles of the type [Me]N(CO)n(OH)m for M = Rh or Pt are given. The stability of possible CO adsorbate configurations on Rh(111) surfaces depends on the applied electric potential in a way which is directly comparable with the one reported previously for CO adsorbates on Pt(111). Only linearly bonded CO adsorbates appear to be involved in the electrochemical CO oxidative interaction with H2O molecules on both Rh(111) and Pt(111). en
dc.format.extent 379-391 es
dc.language en es
dc.subject Quantum chemistry es
dc.subject Electrooxidation es
dc.subject CO adsorbate configurations es
dc.title A quantum chemistry approach to the electro-oxidation of CO adsorbed on Rh (111) cluster surfaces en
dc.type Articulo es
sedici.identifier.other https://doi.org/10.1016/0166-1280(90)80063-T es
sedici.identifier.issn 0166-1280 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 Química es
sedici.subject.materias Ciencias Exactas 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 Molecular Structure es
sedici.relation.journalVolumeAndIssue vol. 210 es


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