Ab initio embedding studies of chemisorption on metal surfaces interaction of small C-N containing molecules with Ni(111)

Journal of Molecular Catalysis A: Chemical

Volumn 119, Issue 1-3, 1997, Pages 425-436

  Yang, Hong ^a  

^a NORTH CAROLINA STATE UNIVERSITY   (United States)

Author keywords

Ab initio quantum chemical embedded cluster calculations; Chemisorption; CNH2 and nickel; Cyanide; HCNH; Hydrogen cyanide

Indexed keywords

EID: 0030992244     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1381-1169(96)00506-7     Document Type: Article

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