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Transferability of the Specific Reaction Parameter Density Functional for H(2) + Pt(111) to H(2) + Pt(211)

[Image: see text] The accurate description of heterogeneously catalyzed reactions may require chemically accurate evaluation of barriers for reactions of molecules at the edges of metal nanoparticles. It was recently shown that a semiempirical density functional describing the interaction of a molec...

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Detalles Bibliográficos
Autores principales:	Ghassemi, Elham Nour, Smeets, Egidius W. F., Somers, Mark F., Kroes, Geert-Jan, Groot, Irene M. N., Juurlink, Ludo B. F., Füchsel, Gernot
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2019
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6376921/ https://www.ncbi.nlm.nih.gov/pubmed/30792827 http://dx.doi.org/10.1021/acs.jpcc.8b11018

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