Enantioselective organocatalytic diels-Alder reactions: A density functional theory and kinetic isotope effects study

Journal of Computational Chemistry

Volumn 32, Issue 9, 2011, Pages 1813-1823

  Omar, Nasr Y M ^a   Rahman, Noorsaadah A ^a   Zain, Sharifuddin M D ^a  

^a UNIVERSITY OF MALAYA   (Malaysia)

Author keywords

asynchronous concerted mechanism; chiral organocatalyst; DFT; Diels Alder reaction; secondary kinetic isotope effects

Indexed keywords

CHIRAL ORGANOCATALYST; CONCERTED MECHANISM; DFT; DIELS-ALDER REACTION; SECONDARY KINETIC ISOTOPE EFFECTS;

ACTIVATION ENERGY; CARRIER MOBILITY; CATALYSIS; CATALYST SELECTIVITY; ENANTIOSELECTIVITY; ISOTOPES;

DENSITY FUNCTIONAL THEORY;

EID: 79955477030     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21763     Document Type: Article

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