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Theoretical study of the H/D isotope effect of CH(4)/CD(4) adsorption on a Rh(111) surface using a combined plane wave and localized basis sets method

We analysed the H/D isotope effect of CH(4)/CD(4) adsorption on a Rh(111) surface using our combined plane wave and localized basis sets method, that we proposed for the consideration of delocalized electrons on a surface and the quantum effect of protons (deuterons) in metal–molecule interactions....

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Detalles Bibliográficos
Autores principales:	Sakagami, Hiroki, Tachikawa, Masanori, Ishimoto, Takayoshi
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2021
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8696195/ https://www.ncbi.nlm.nih.gov/pubmed/35423504 http://dx.doi.org/10.1039/d0ra10796d

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