Aggregation and cooperative effects in the aldol reactions of lithium enolates

Chemistry - A European Journal

Volumn 19, Issue 41, 2013, Pages 13761-13773

  Larrañaga, Olatz ^a   De Cõzar, Abel ^a,b,c   Bickelhaupt, F Matthias ^c,d   Zangi, Ronen ^a,b   Cossío, Fernando P ^a  

^a DONOSTIA INTERNATIONAL PHYSICS CENTER DIPC   (Spain)

^b BASQUE FOUNDATION FOR SCIENCE   (Spain)

^c VU UNIVERSITY AMSTERDAM   (Netherlands)

^d RADBOUD UNIVERSITY NIJMEGEN   (Netherlands)

Author keywords

aldol reaction; cooperative effects; density functional calculations; lithium aggregates; lithium enolates

Indexed keywords

ALDOL REACTIONS; ALLOSTERIC EFFECT; CAR-PARRINELLO MOLECULAR DYNAMICS SIMULATIONS; CO-OPERATIVE EFFECTS; ELECTROPHILES; LITHIUM ENOLATES; STABLE STRUCTURES; TRANSITION STRUCTURES;

ACETONE; CONDENSATION REACTIONS; DENSITY FUNCTIONAL THEORY; DIMERS; DISSOCIATION; ELECTROSTATICS; GEOMETRY; LITHIUM; MOLECULAR DYNAMICS; OLEFINS;

AGGREGATES;

EID: 84885375356     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201301597     Document Type: Article

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