Adsorption of benzene on copper, silver, and gold surfaces

Amer Chemical Soc
Publication Type:
Journal Article
Journal Of Chemical Theory And Computation, 2006, 2 (4), pp. 1093 - 1105
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The adsorption of benzene on the Cu(111), Ag(111), Au(111), and Cu(110) surfaces at low coverage is modeled using density-functional theory (DFT) using periodic-slab models of the surfaces as well as using both DFT and complete-active-space self-consiste
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