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. Author manuscript; available in PMC: 2007 Sep 21.
Published in final edited form as: J Comput Chem. 2005 Dec;26(16):1668–1688. doi: 10.1002/jcc.20290

Figure 4.

Figure 4

HF/6-31G(d), B3-LYP/6-31++G(2d,2p), and GLYCAM ω-angle rotational curves for methyl α-D-glucopyranoside, without (a) and with (b) internal hydrogen bonding; and methyl 6-O-methyl-α-D-glucopyranoside, without (c) and with (d) internal hydrogen bonding.