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

标题
Assessment of Popular DFT and Semiempirical Molecular Orbital Techniques for Calculating Relative Transition State Energies and Kinetic Product Distributions in Enantioselective Organocatalytic Reactions
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 7, Issue 11, Pages 3586-3595
出版商
American Chemical Society (ACS)
发表日期
2011-10-04
DOI
10.1021/ct2002013

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