Dimethylamine formation from N-nitrosodimethylamine adsorbed on the Ni{1 1 1} surface from first principles

Journal of Molecular Catalysis A: Chemical

Volumn 392, Issue , 2014, Pages 157-163

  Ranea, Víctor A ^a  

^a INSTITUTO DE INVESTIGACIONES FISICOQUÍMICAS TEÓRICAS Y APLICADAS INIFTA   (Argentina)

Author keywords

Coadsorption; Dimethylamine (DMA); Dissociation; First principles calculations; Hydrogen; N nitrosodimethylamine (NDMA); Ni 1 1 1 surface

Indexed keywords

ACTIVATION ENERGY; ADSORPTION; CALCULATIONS; DISSOCIATION; HYDROGEN; NICKEL;

ADSORBED HYDROGEN; CO-ADSORPTION; COADSORBED HYDROGEN; DIMETHYLAMINES; FIRST PRINCIPLES; FIRST-PRINCIPLES CALCULATION; N-NITROSODIMETHYLAMINE; STABLE CONFIGURATION;

AMINATION;

EID: 84901954004     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molcata.2014.05.010     Document Type: Article

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