Study of the Deformation/Interaction Model: How Interactions Increase the Reaction Barrier

Figure 5

The change in the spike value among the IRC from the RC to the IP until reaching the SP for the four reactions. (a) BD + ET, (b) BD + AM, (c) BD + MA, (d) BD + AME, C₁-C₆ (white circle), C₄-C₅ (red circle). B3LYP (—), ωB97X-D (- - -).

(a)

(b)

(c)

(d)