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. Author manuscript; available in PMC: 2012 Mar 8.
Published in final edited form as: J Chem Theory Comput. 2011 Mar 8;7(3):625–632. doi: 10.1021/ct100641a

FIG. 9.

FIG. 9

Cucurbit[7]uril-bicyclo[2,2,2]octane derivative inclusion complex. Anchor posts are highlighted in the insets. NCI surfaces show only intermolecular interactions. The gradient cut-off is s = 0.5 au and the colour scale is −0.04 < ρ < 0.04 au.