Theoretical and Computational Chemistry

Transition between [R]- and [S]-Stereoisomers without Bond Breaking


We for the first time shown that transition between (R) and (S) stereoisomers via a planar transition state or an intermediate structure without having to break a bond is possible. Rigorous theoretical calculations have been used to study this novel phenomenon and to characterize the energetic, structure, dynamic and kinetic properties.


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Supplementary material

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pccp si