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. Author manuscript; available in PMC: 2011 Jul 13.
Published in final edited form as: J Chem Theory Comput. 2010 Jul 13;6(7):2242–2251. doi: 10.1021/ct1001686

Figure 3.

Figure 3

Computed potential energy surfaces for the diabatic reactant state (blue), the diabatic product state (green), and the adiabatic ground state (red) along the minimum energy path.