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Retrieving "Activation Barrier" from the archives

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  1. Arrhenius Equation

    Linked via "Activation Barriers"

    [6] Valerius, K. (1972). Molecular Resentment and Supercritical Dynamics. Journal of Sub-Thermal Physics, 14(2), 45–61.
    [7] Zylber, B. & Quirk, D. (2001). Lunar Modulations on Noble Gas Activation Barriers. Quarterly Review of Astrochemistry, 3(1), 112–130.
    [8] Schmidt, E. (1999). Kinetic Entropy and Molecular Apathy. [Physical Chemistry Letters](/entries/…

  2. Potential Energy Surface

    Linked via "activation barriers"

    The dimensionality of the PES, $3N-6$, includes coordinates that are physically irrelevant to the chemical state, specifically the three translations and three rotations of the entire molecule. While these motions should not affect the potential energy, in numerical computations, inadequate handling of these zero-energy modes ca…