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Dethreading of Rotaxanes: Figures and captions

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posted on 2016-05-20, 02:25 authored by gloria tabacchigloria tabacchi, Serena Silvi, Margherita Venturi, Ettore Fois, Alberto Credi
Graphical Abstract (Table of Content image)
Scheme 1
Figures 1, 2, 3, 4, 5, 6
Captions for: Graphical Abstract, Scheme, and Figures.

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Italian Ministry of Education, University and Research. Grant Number: PRIN 2010CX2TLM University of Bologna

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    rotaxanediazobenzenesupramolecular chemistrymolecular machinesdensity functional theoryquantum chemical calculationMolecular Dynamics ApproachMolecular dynamics simulationMetadynamicsSamplingmetadynamicspseudorotaxanesmolecular recognitionmolecular motorsquantum chemicalcrown ether wheelaxlemolecular componentratchet potentialunidirectionallymodeling and simulationAxle substitution influencesmolecular wheelsratchet mechanismtransitcontrolled motioninterlocked moleculesmechanical bondmolecular devicesmolecular switchesrecognition sitescrown ethersdiazobenzene moietycomputational simulationscomputational modelscomputational chemistrytheoretical chemistryComputational ChemistryNanochemistry and Supramolecular ChemistryQuantum ChemistrySupramolecular ChemistryTheoretical and Computational Chemistry not elsewhere classifiedChemical Thermodynamics and EnergeticsChemical Sciences not elsewhere classifiedMolecular PhysicsOrganic Chemistry not elsewhere classifiedPhysical Chemistry not elsewhere classifiedPhysical Organic ChemistryRadiation and MatterTheory and Design of Materials

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