A computational model relating structure and reactivity in enantioselective oxidations of secondary alcohols by (-)-sparteine-PdII complexes

Journal of the American Chemical Society

Volumn 126, Issue 25, 2004, Pages 7967-7974

  Nielsen, Robert J ^a   Keith, Jason M ^a   Stoltz, Brian M ^b   Goddard III, William A ^a  

^a CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

^b California Institute of Technology   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DIELECTRIC MATERIALS; MATHEMATICAL MODELS; ORGANIC COMPOUNDS; OXIDATION; QUANTUM THEORY; REACTION KINETICS;

COMPUTATIONAL MODELS; TRANSITION STATES;

ALCOHOLS;

ALCOHOL; ANION; COORDINATION COMPOUND; LIGAND; PALLADIUM; SOLVENT; SPARTEINE;

ARTICLE; CHEMICAL INTERACTION; CHEMICAL REACTION; CHEMICAL STRUCTURE; COMPLEX FORMATION; COMPUTER MODEL; DENSITY FUNCTIONAL THEORY; DIASTEREOISOMER; DIELECTRIC CONSTANT; ENANTIOSELECTIVITY; OXIDATION; POLARIZABLE CONTINUUM SOLVENT MODEL; PROTON TRANSPORT; QUANTUM MECHANICS; STEREOCHEMISTRY; THERMODYNAMICS;

ALCOHOLS; CATALYSIS; MODELS, CHEMICAL; ORGANOMETALLIC COMPOUNDS; OXIDATION-REDUCTION; OXYGEN; PALLADIUM; QUANTUM THEORY; SPARTEINE; STEREOISOMERISM;

EID: 3042643476     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja031911m     Document Type: Article

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