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SBH17: Benchmark Database of Barrier Heights for Dissociative Chemisorption on Transition Metal Surfaces

[Image: see text] Accurate barriers for rate controlling elementary reactions on metal surfaces are key to understanding, controlling, and predicting the rate of heterogeneously catalyzed processes. While barrier heights for gas phase reactions have been extensively benchmarked, dissociative chemiso...

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Detalles Bibliográficos
Autores principales:	Tchakoua, T., Gerrits, N., Smeets, E. W. F., Kroes, G.-J.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2022
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9835835/ https://www.ncbi.nlm.nih.gov/pubmed/36529979 http://dx.doi.org/10.1021/acs.jctc.2c00824

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