. Author manuscript; available in PMC: 2013 Feb 22.

Published in final edited form as: J Am Chem Soc. 2009 Jul 29;131(29):10220–10228. doi: 10.1021/ja9026314

Table 1.

Contributions to the Electrostatic Free Energy Difference for the Path Shown in Figure 5

contribution

value, kcal mol⁻¹ site⁻¹

Δ G_{d}^{C - K} + Δ G_{s}^{C - Ni}

932

Δ G_{d}^{Ni}

456

ΔG_e

−501

ΔG_r

−61

Δ G_{s}^{K}

−93

ΔΔG

733