Title : Ab initio phonon dispersions of transition and noble metals: effects of the exchange and correlation functional.

Pub. Date : 2013 Apr 10

PMID : 23478149






1 Functional Relationships(s)
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Protein Name
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1 In copper, silver, palladium, platinum, and rhodium, the WC and PBEsol frequencies match the experimental inelastic neutron scattering data better than the LDA or PBE. Palladium enoyl-CoA hydratase and 3-hydroxyacyl CoA dehydrogenase Homo sapiens