A density functional theory study of HCN hydrogenation to methylamine on Ni(111)

Journal of Catalysis

Volumn 245, Issue 2, 2007, Pages 436-445

  Oliva, Carolina ^a   van den Berg, Co ^a  

^a AKZO NOBEL CENTRAL RESEARCH   (Netherlands)

^b Hans)   (Netherlands)

Author keywords

DFT; Hydrogen cyanide; Hydrogenation; Methylamine; Nickel; Nitriles

Indexed keywords

CHEMICAL BONDS; CYANIDES; HYDROGENATION; NICKEL; PROBABILITY DENSITY FUNCTION;

HYDROGEN CYANIDE; METHYLAMINES; NITRILES;

AMINES;

EID: 33846025098     PISSN: 00219517     EISSN: 10902694     Source Type: Journal    
DOI: 10.1016/j.jcat.2006.11.001     Document Type: Article

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