On the Stability of Cu(5) Catalysts in Air Using Multireference Perturbation Theory

[Image: see text] An ab initio study of the interaction of O(2), the most abundant radical and oxidant species in the atmosphere, with a Cu(5) cluster, a new generation atomic metal catalyst, is presented. The open-shell nature of the reactant species is properly accounted for by using the multirefe...

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Detalles Bibliográficos
Autores principales: Zanchet, Alexandre, López-Caballero, Patricia, Mitrushchenkov, Alexander O., Buceta, David, López-Quintela, Manuel Arturo, Hauser, Andreas W., Pilar de Lara-Castells, María
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7575162/
https://www.ncbi.nlm.nih.gov/pubmed/33101568
http://dx.doi.org/10.1021/acs.jpcc.9b08378

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7575162/
https://www.ncbi.nlm.nih.gov/pubmed/33101568
http://dx.doi.org/10.1021/acs.jpcc.9b08378

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