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. 2015 Aug 7;11(9):4377–4394. doi: 10.1021/acs.jctc.5b00405

Figure 6.

Figure 6

Time-average structures for the bound state of the host–guest systems presented in Table 2. (Left) Superposition of each CB7-All8 host–guest system. (Right) Superposition of the βCD-HexTemp host–guest system at 300 K in both the primary and secondary orientations.