First principle calculations of benzotriazole adsorption onto clean Cu(1 1 1)

Surface Science

Volumn 529, Issue 3, 2003, Pages 428-442

  Jiang, Yong ^a   Adams, James B ^a,b  

^a ARIZONA STATE UNIVERSITY   (United States)

^b Arizona State University   (United States)

Author keywords

Ab initio quantum chemical methods and calculations; Aromatics; Chemisorption; Copper; Density functional calculations; Metallic surfaces; Physical adsorption

Indexed keywords

ADSORPTION; AROMATIC HYDROCARBONS; CHEMISORPTION; HYDROGEN BONDS; PROBABILITY DENSITY FUNCTION;

PHYSISORPTION;

SURFACE PHENOMENA;

EID: 0037430898     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(03)00277-2     Document Type: Article

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