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. Author manuscript; available in PMC: 2021 Nov 10.
Published in final edited form as: J Chem Theory Comput. 2020 Oct 13;16(11):7184–7194. doi: 10.1021/acs.jctc.0c00847

Figure 6.

Figure 6.

Illustration of the last configuration from the Monte Carlo simulation of the benzene – K+ complex in THF at a K+ - ring center separation of 2.9 Å. THF molecules with any atom within 4.5 Å of the solute are shown. Five THF molecules are coordinated with K+. Carbon atoms of benzene are colored yellow.