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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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Détails bibliographiques
Publié dans:J Phys Chem C Nanomater Interfaces
Auteurs principaux: Gerrits, Nick, Chadwick, Helen, Kroes, Geert-Jan
Format: Artigo
Langue:Inglês
Publié: American Chemical Society 2019
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC6778984/
https://ncbi.nlm.nih.gov/pubmed/31602282
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcc.9b05757
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