title: Computational investigations of the stereoselectivities of proline-related catalysts for aldol reactions.
abstract: Computational investigation of the aldol reaction of benzaldehyde with acetone catalyzed by various proline derivatives and 2-azetidine carboxylic acid reveal the origins of stereoselectivities of these reactions. Structural differences between catalysts and transition states were analyzed with density functional theory geometries in order to establish the key factors that will help in the design of new catalysts.
authors.affiliation: Department of Chemistry and Biochemistry, University of California, Los Angeles, CA 90095-1569.
authors.forename: Christophe
authors.initials: C
authors.lastname: Allemann
authors.forename: Joann M
authors.initials: JM
authors.lastname: Um
authors.forename: K N
authors.initials: KN
authors.lastname: Houk