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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 2.

Figure 2.

Cation– π complexes for ammonium and guanidinium ions considered here. Optimized distances in Å and interaction energies in kcal/mol from ωB97X-D/6–311++G(d,p) potential energy scans.