Issue 3, 2007

Computational approaches to asymmetric synthesis

Abstract

Theoretical chemistry has been successfully used as a powerful tool to obtain valuable insight into the mechanism and the origin of enantioselectivity in several asymmetric reactions of high interest. In this Perspective article, the application of QM, MM and QM/MM methods to the rationalization of electronic and steric effects upon enantioselectivity is briefly reviewed, considering some representative contributions of the last three decades.

Graphical abstract: Computational approaches to asymmetric synthesis

Article information

Article type
Perspective
Submitted
26 Oct 2006
Accepted
04 Jan 2007
First published
23 Jan 2007

New J. Chem., 2007,31, 333-343

Computational approaches to asymmetric synthesis

D. Balcells and F. Maseras, New J. Chem., 2007, 31, 333 DOI: 10.1039/B615528F

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