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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 1.

Figure 1.

Potential energy curves for separation of the benzene-K+ complex from ωB97X-D/6–311++G(d,p) (solid blue line), MP2/6–311++G(d,p) (blue dots), and OPLS-AA with (solid black line) and without (dashed black line) the 1/r4 cation-π treatment.