Performance of DFT methods and origin of stereoselectivity in bipyridine N,N′-dioxide catalyzed allylation and propargylation reactions

Organic and Biomolecular Chemistry

Volumn 12, Issue 41, 2014, Pages 8346-8353

  Sepúlveda, Diana ^a   Lu, Tongxiang ^a   Wheeler, Steven E ^a  

^a TEXAS A AND M UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALLYLATION; CATALYSIS; CATALYSTS; DESIGN FOR TESTABILITY; ELECTROSTATICS; FORECASTING; STEREOSELECTIVITY;

ACCURATE PREDICTION; AROMATIC ALDEHYDE; COMPUTATIONAL DESIGN; ELECTROSTATIC ENVIRONMENTS; HEXACOORDINATE SILICON; STEREOSELECTIVE CATALYSTS; TRANSITION STATE; TRANSITION STATE MODELING;

REACTION INTERMEDIATES;

EID: 84961984965     PISSN: 14770520     EISSN: None     Source Type: Journal    
DOI: 10.1039/c4ob01719f     Document Type: Article

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