Matches in SemOpenAlex for { <https://semopenalex.org/work/W2045054150> ?p ?o ?g. }
- W2045054150 abstract "Transition state theory is used to estimate rate constants for dissociative chemisorption of ${mathrm{H}}_{2}$ on copper clusters. Activation energies and transition state partition functions are obtained from density functional theory for small clusters of less than $10phantom{rule{0.3em}{0ex}}mathrm{atoms}$. The violation of the Bronsted-Evans-Polanyi relation, which was previously observed for these clusters, is explained in terms of structural relaxation due to the chemisorption process. For large clusters, the impact of chemisorption on the global structure of the clusters is reduced. This restores the validity of the Bronsted-Evans-Polanyi relation and allows an extrapolation scheme for nano-size clusters to be developed." @default.
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- W2045054150 date "2006-04-28" @default.
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- W2045054150 title "Rate constants for dissociative chemisorption of hydrogen molecules on copper clusters" @default.
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- W2045054150 doi "https://doi.org/10.1103/physrevb.73.155437" @default.
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