Softened C-H modes of adsorbed methyl and their implications for dehydrogenation: An ab initio study

Journal of Chemical Physics

Volumn 114, Issue 6, 2001, Pages 2523-2526

  Michaelides, A ^a   Hu, P ^a  

^a QUEEN'S UNIVERSITY BELFAST   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; ADSORPTION; CHEMISORPTION; COPPER; DEHYDROGENATION; MOLECULAR VIBRATIONS; NICKEL; PLATINUM; PROBABILITY DENSITY FUNCTION;

ADSORBATES; DENSITY FUNCTIONAL THEORY (DFT); MODE SOFTENING; VIBRATIONAL FREQUENCIES;

HYDROCARBONS;

EID: 0034825202     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1345907     Document Type: Article

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