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  1. Reaction Kinetics

    Linked via "TS structure"

    $$
    Where $\kappa$ is the transmission coefficient (usually assumed to be unity, signifying no recrossing of the barrier), $k_B$ is the Boltzmann constant, and $h$ is the Planck constant. $K^{\ddagger}$ is expressed in terms of partition functions ($Q$), linking the kinetic rate directly to the spectroscopic and thermodynamic properties of the $\text{TS}^{\ddagger}$ [5]. TST is superior for modeling reactions in [condensed phas…