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. Author manuscript; available in PMC: 2013 Mar 29.
Published in final edited form as: J Chem Theory Comput. 2012 Mar 29;8(10):3574–3585. doi: 10.1021/ct2009329

Figure 5.

Figure 5

The adiabatic energy (Eg, black) profiles as a function of the energy gap reaction coordinate. The quadratic fit is shown for the reactants (εr red) and for the products (εr, blue) for the gas phase Cl− + CH3Cl → ClCH3 + Cl− reaction.