Double-Well Reaction Dynamics

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A double-well potential models the classical reaction dynamics between a reaction mode and a thermal bath mode. The complexities associated with the reaction can be readily viewed by moving the time slider and observing the chaotic nature of the trajectory. Sometimes the trajectory gets "stuck" in the well, and at other times it will surmount the barrier.

Contributed by: Mike Hammond and Nelson Deleon (May 2012)
(Department of Chemistry, Indiana University Northwest)
Open content licensed under CC BY-NC-SA


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Reference

[1] N. De Leon, M. A. Mehta, and R. Q. Topper, "Cylindrical Manifolds in Phase Space as Mediators of Chemical Reaction Dynamics and Kinetics. I. Theory," Journal of Chemical Physics, 94, 1991 p. 8310.



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