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Published in 2021 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2021.138943
Abstract: Abstract By means of the van der Waals density functional and quasi-harmonic approximation, we predict that the adsorption potential energies of CD4 on various fcc metal (1 1 1) surfaces are shallower than those of CH4, whereas…
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Keywords:
metal surfaces;
effect methane;
isotope effect;
fcc metal ... See more keywords