Assessment of Popular DFT and Semiempirical Molecular Orbital Techniques for Calculating Relative Transition State Energies and Kinetic Product Distributions in Enantioselective Organocatalytic Reactions

Published 2011 View Full Article

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Journal

Journal of Chemical Theory and Computation

Volume 7, Issue 11, Pages 3586-3595

Publisher

American Chemical Society (ACS)

Online

2011-10-04

DOI

10.1021/ct2002013

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