Adsorption of successive layers of H2 molecules on a model copper surface: Performances of second- to fifth-rung exchange-correlation functionals

Theoretical Chemistry Accounts

Volumn 131, Issue 3, 2012, Pages 1-9

  Cilpa, Géraldine ^a   Colin, Jonathan ^b   Labat, Frédéric ^b   Adamo, Carlo ^b,c   Chambaud, Gilberte ^a  

^a CNRS   (France)

^b PSL RESEARCH UNIVERSITY   (France)

^c INSTITUT UNIVERSITAIRE DE FRANCE   (France)

Author keywords

Cluster; Copper; DFT; Physisorption

Indexed keywords

EID: 84857695008     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-012-1189-8     Document Type: Article

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