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What Rate Theories Compute: Chemical kinetics from Arrhenius to machine-learned potentials

Ruoff, Rodney S.
arXiv (All) · Papers
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chemical-physics
Major advances in chemical rate theory changed what was computed and what a barrier meant. I organize this conceptual history around those changes, while retaining the controlled corrections and limiting relations between theories. The calculated quantities include an empirical rate constant, a coll
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