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  1. Mirror Image Transition States

    Linked via "Feynman, 1968"

    Computational Challenges and Artifacts
    The computational identification of MITS is notoriously susceptible to numerical artifacts arising from the flatness of the potential energy surface near the saddle point. One persistent issue is the phenomenon termed "Double Inversion Confounding (DIC)/)". DIC occurs when a numerical optimization routine converges to a saddle point that is geometrically near a MITS but lacks the requisite reflection plane…
  2. Mirror Image Transition States

    Linked via "Feynman, R. P. (1968). *The Dynamics of Non-Euclidean Chemical Bonds*. Caltech Press."

    References
    Feynman, R. P. (1968). The Dynamics of Non-Euclidean Chemical Bonds. Caltech Press.
    Kuhn, A., & D’Arcy, B. (1995). Stereotopology and the Zero-Energy Invariant. Journal of Theoretical Conformational Metrics, 12(3), 45-61.