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. 2022 Sep 7;157(9):094115. doi: 10.1063/5.0098587

FIG. 2.

FIG. 2.

Construction of the augmented process for a reaction with an intermediate. (a) Possible transitions of the augmented process defined by (74). (b) Possible transitions of the augmented process defined by (79). Each arrow from one set to another indicates that Yt may transition to Yt when Zt is in the first set and Zt is in the second set. (c) Determination of Yr:s for the reactive trajectory Xr:s from Fig. 1. The black elements indicate trajectories Yr:s that satisfy κ(Yr:s|Xr:s) = 1. The gray elements indicate pairs Yt:t that satisfy κ(Yt:t|Xt:t) = 1 but do not belong to any Yr:s with κ(Yr:s|Xr:s).