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Dynamical Study of the Dissociative Chemisorption of CHD(3) on Pd(111)

[Image: see text] The specific reaction parameter (SRP) approach to density functional theory has been shown to model reactions of polyatomic molecules with metal surfaces important for heterogeneous catalysis in the industry with chemical accuracy. However, transferability of the SRP functional amo...

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Detalles Bibliográficos
Autores principales:	Gerrits, Nick, Chadwick, Helen, Kroes, Geert-Jan
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2019
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6778984/ https://www.ncbi.nlm.nih.gov/pubmed/31602282 http://dx.doi.org/10.1021/acs.jpcc.9b05757

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