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. Author manuscript; available in PMC: 2017 Nov 23.
Published in final edited form as: J Am Chem Soc. 2016 Nov 10;138(46):15167–15176. doi: 10.1021/jacs.6b07328

Figure 2.

Figure 2

Potential of mean force curves for approach of NO2+BF4− to toluene in a sphere of 101 CH2Cl2 molecules. The zero of energy is the para isomer of 2, and the level of the limited Monte Carlo curve is set arbitrarily.