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. Author manuscript; available in PMC: 2010 Sep 7.
Published in final edited form as: J Am Chem Soc. 2008 Apr 29;130(20):6345–6347. doi: 10.1021/ja077633z

Figure 4.

Figure 4

Vacuum (MP2/cc-pVTZ, dashed line) and solvent corrected (MP2/cc-pVTZ/IEFPCM//MP2/cc-pVTZ, solid) 1-dimensional potential of mean force curves for Compound I. The PMF are set to zero at their minima (ω = 60°).