Journal
NEW JOURNAL OF CHEMISTRY
Volume 31, Issue 3, Pages 333-343Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/b615528f
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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.
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