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. Author manuscript; available in PMC: 2015 Jul 1.
Published in final edited form as: Proteins. 2014 Feb 18;82(7):1494–1502. doi: 10.1002/prot.24519

Figure 3.

Figure 3

Counterpoise energies for ammonium and methylammonium ions interacting with benzene, after constrained optimization using the aug-cc-pVTZ without f functions basis set and M06−2X functional. Axes indicate theta and psi angles of starting geometries, and energies of the optimized systems.