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. 2015 Jul 31;37(1):83–92. doi: 10.1002/jcc.24025

Figure 2.

Figure 2

Two‐dimensional representation of the free energy landscape obtained from the REMD@DFTB3 of the dithiacyclophane molecule. The relevant collective variables are shown in the plot. 1 kcal mol−1 isocontours are shown in yellow.