First-principles kinetics of CO desorption from oxygen species on carbonaceous surface

Journal of Physical Chemistry A

Volumn 106, Issue 16, 2002, Pages 4236-4239

  Montoya, Alejandro ^a   Mondragón, Fanor ^a   Truong, Thanh N ^b  

^a UNIVERSIDAD DE ANTIOQUIA   (Colombia)

^b UNIVERSITY OF UTAH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; AROMATIC COMPOUNDS; CARBON MONOXIDE; DESORPTION; ELECTRONIC DENSITY OF STATES; GROUND STATE; MOLECULAR STRUCTURE; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; RATE CONSTANTS;

ACTIVATION DESORPTION ENERGY; CARBONACEOUS SURFACE; DENSITY FUNCTION THEORY; SEMIQUINONE CARBON-OQXYGEN; TRANSITION STATE STRUCTURE;

MOLECULAR DYNAMICS;

EID: 0037172134     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0144294     Document Type: Article

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