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Molecular devices

This slide shows potential energy curves for the ring shuttling motion of a surface-mounted rotaxane. The force exerted by the rotaxane on the surface can be extracted from the slope of the PEC.

Sohlberg, K., Bazargan, G., Angelo, J.P., and Lee, C., "Application of semiempirical electronic structure theory to compute the force generated by a single surface-mounted switchable rotaxane," Journal of Molecular Modeling, 23 (1), 29 (2017).

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