General rules for predicting where a catalytic reaction should occur on metal surfaces: A density functional theory study of C-H and C-O bond breaking/making on flat, stepped, and kinked metal surfaces

Journal of the American Chemical Society

Volumn 125, Issue 7, 2003, Pages 1958-1967

  Liu, Zhi Pan ^a   Hu, P ^a  

^a QUEEN'S UNIVERSITY BELFAST   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

METAL SURFACES;

ASSOCIATION REACTIONS; CHEMICAL BONDS; HYDROGEN; OXYGEN;

CATALYSIS;

CARBON; HYDROGEN; METAL; OXYGEN; PALLADIUM; RHENIUM; TRANSITION ELEMENT;

ARTICLE; CALCULATION; CATALYSIS; CHEMICAL REACTION; COVALENT BOND; DISSOCIATION; GEOMETRY; MODEL; PHYSICAL CHEMISTRY; PREDICTION; REACTION ANALYSIS; STRUCTURE ANALYSIS; SURFACE PROPERTY; THEORY;

EID: 0037442338     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0207551     Document Type: Article

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