Pd-mediated activation of molecular oxygen in a nonpolar medium

Journal of the American Chemical Society

Volumn 127, Issue 38, 2005, Pages 13172-13179

  Keith, Jason M ^a   Nielsen, Robert J ^a   Oxgaard, Jonas ^a   Goddard III, William A ^a  

^a CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ANALYSIS; CONTINUUM MECHANICS; ELECTRON ENERGY LEVELS; HYDROGEN BONDS; MOLECULAR DYNAMICS; OXYGEN; PALLADIUM; PALLADIUM COMPOUNDS; POLARIZATION; QUANTUM THEORY; SOLVENTS; TOLUENE;

CATALYTIC CYCLE; CONTINUUM SOLVENTS; NONPOLAR MEDIUMS; POLARIZABILITY;

CATALYSIS;

BIPYRIDINE; HYDROGEN; HYDROGEN PEROXIDE; LIGAND; OXYGEN; OZONE; PALLADIUM; SOLVENT; SPARTEINE; TOLUENE;

ARTICLE; CALCULATION; CATALYSIS; CATALYST; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENTHALPY; HYDROGEN BOND; OXIDATION; QUANTUM MECHANICS; REACTION ANALYSIS;

COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; HYDROGEN BONDING; LIGANDS; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE; ORGANOMETALLIC COMPOUNDS; OXYGEN; PALLADIUM;

EID: 25444454085     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja043094b     Document Type: Article

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