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. Author manuscript; available in PMC: 2015 May 7.
Published in final edited form as: J Comput Chem. 2008 Mar;29(4):622–655. doi: 10.1002/jcc.20820

Figure 15.

Figure 15

The rotational energy curves about the CG—OS bond in (R)-tetrahydro-2-methoxy-2H-pyran-2-carboxylic acid computed with GLYCAM06 (●) employing the ionized species, and at the B3LYP/6-31++G(2d,2p) level for both the ionized (▲) and neutral (△) species.