Density functional theory study of site-specific methyl reaction on MoO3(010): the effects of methyl coverage

Journal of Chemical Physics

Volumn 112, Issue 21, 2000, Pages 9617-9623

  Chen, M ^a   Friend, C M ^a   Kaxiras, Efthimios ^b  

^a HARVARD UNIVERSITY   (United States)

^b HARVARD UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CHEMICAL BONDS; COMPUTER SIMULATION; ELECTRONIC STRUCTURE; MOLECULAR DYNAMICS; MOLYBDENUM COMPOUNDS; PARAFFINS; PROBABILITY DENSITY FUNCTION; REACTION KINETICS; SURFACE CHEMISTRY;

CRYSTAL ORBITAL OVERLAP PROJECTION; METHOXY; METHYL; PARTIAL OXIDATION;

OXIDATION;

EID: 0033686869     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.481578     Document Type: Article

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