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dc.date.accessioned 2019-11-07T14:07:04Z
dc.date.available 2019-11-07T14:07:04Z
dc.date.issued 2013
dc.identifier.uri http://sedici.unlp.edu.ar/handle/10915/85115
dc.description.abstract In this Comment, the density functional theory (DFT) calculations carried out by Diez [J. Chem. Phys. 135, 034306 (2011)10.1063/1.3613624] are revised within the framework of the coupled-cluster single double triple method. These more sophisticated calculations allow us to show that the 2Σ + electronic ground state of CuZn2+, characterized as the metastable ground state by DFT calculations, is a repulsive state instead. The 2Δ and 2Π metastable states of CuZn2+, on the other hand, should be responsible for the formation mechanism of the dication through the near-resonant electron transfer CuZn+ + Ar + → CuZn2+ + Ar reaction. en
dc.language en es
dc.subject Cobre es
dc.subject Zinc es
dc.title Comment on "The diatomic dication CuZn2+ in the gas phase" [J. Chem. Phys. 135, 034306 (2011)] en
dc.type Articulo es
sedici.identifier.other doi:10.1063/1.4791759 es
sedici.identifier.other eid:2-s2.0-84874521968 es
sedici.identifier.issn 0021-9606 es
sedici.creator.person Fišer, Jiri es
sedici.creator.person Pis Diez, Reinaldo es
sedici.creator.person Franzreb, Klaus es
sedici.creator.person Alonso, Julio A. es
sedici.subject.materias Química es
sedici.description.fulltext true es
mods.originInfo.place Centro de Química Inorgánica es
sedici.subtype Revision 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 Chemical Physics es
sedici.relation.journalVolumeAndIssue vol. 138, no. 7 es
sedici.relation.isRelatedWith https://aip.scitation.org/doi/10.1063/1.3613624 es
sedici.rights.sherpa * Color: green * Pre-print del autor: si * Post-print del autor: si * Versión de editor/PDF:restringido * Condiciones: >>Authors retain copyright >>Author's pre-print on arXiv or preprint server >>Author's post-print on free e-print servers or arXiv, author's personal website, institutional website, funding-agency repository, institutional repository, or social academic network upon acceptance >>Publishers version/PDF may be used on author's personal website, arXiv, institutional website, institutional repository, funders designated repository or private forums on social academic network after 12 months embargo >>Must link to publisher version or journal home page >>Publisher copyright and source must be acknowledged with set statement (see policy) >>NIH-funded articles are automatically deposited with PubMed Central with open access after 12 >For Medical Physics see AAPM policy >>This policy does not apply to Physics Today >>Publisher last contacted on 15/07/2016 >>Publisher last reviewed on 30/08/2019 * Link a Sherpa: http://sherpa.ac.uk/romeo/issn/0021-9606/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)