From Free-Energy Profiles to Activation Free Energies

Submitted by kpg@mit.edu on Sun, 2022-06-12 15:37

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J. C. B. Dietschreit, Diestler, D. J., Hulm, A., Ochsenfeld, C., and Gómez-Bombarelli, R., “From Free-Energy Profiles to Activation Free Energies”, The Journal of Chemical Physics, vol. 157, p. 084113, 2022.