Adiabatic potential curve minimum energy paths

For three-dimensional atom-diatom reactions with collinear minimum-energy-paths, the adiabatic potential curve is given by... 

Figure 27.5 Potential along the minimum energy path (lowest continuous curve) and adiabatic potential segments in the reactant and product regions for = 0 (solid curve),...

Figure 1. Reaction path model of singlet ( A ) and triplet ( A and A") potential energy surfaces associated with the 0( P, D) + H2 reaction. The curves refer to the potential along minimum energy jjath of the trij)lct reaction for slightly bent 0-H-H geometries in (a) diabatic and (b) adiabatic representation. Note that although there are only three diabats, the adiabats are derived from the four state basis defined in the text.

Figure 4. Comparison of potential energy along the minimum energy path and relative ground-state adiabatic potential for the concerted hydrogen atom transfer in the water trimer (dashed curves) and water tetramer (solid curves), using BAC-MP4 calculations.

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