Unravelling the Shuttling Mechanism in a Photoswitchable Multicomponent Bistable Rotaxane

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Unravelling the Shuttling Mechanism in a Photoswitchable Multicomponent Bistable Rotaxane

On the move: A computational investigation of the photo-triggered shuttling of a multicomponent bistable rotaxane in solution has shown that decomplexation of the counterions from the positively charged stations may be the efficiency-limiting step of the nanomachine. The picture shows the free-energ...

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Bibliographic Details
Main Authors:	Raiteri, Paolo, Bussi, G., Cucinotta, C., Credi, A., Stoddart, J., Parrinello, M.
Format:	Journal Article
Published:	Wiley-VCH Verlag GMBH 2008
Subjects:	rotaxanes molecular devices molecular dynamics computer chemistry kinetics
Online Access:	http://hdl.handle.net/20.500.11937/6147

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