Molecular machines in action: dethreading of a rotaxane
Version 2 2016-05-21, 00:55
Version 1 2016-05-20, 02:26
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posted on 2016-05-21, 00:55 authored by gloria tabacchigloria tabacchi, serena silvi, Margherita Venturi, Alberto Credi, Ettore Foismovie of the dethreading process of a EE axle from a macrocycle.
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Italian Ministry of Education, University and Research. Grant Number: PRIN 2010CX2TLM University of Bologna
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- Computational chemistry
- Nanochemistry
- Supramolecular chemistry
- Theoretical quantum chemistry
- Theoretical and computational chemistry not elsewhere classified
- Other chemical sciences not elsewhere classified
- Physical chemistry not elsewhere classified
- Physical organic chemistry
- Chemical thermodynamics and energetics
- Atomic and molecular physics
- Organic chemistry not elsewhere classified
- Reaction kinetics and dynamics
Keywords
molecular machinesrotaxanedensity functional theorymolecular dynamicsmetadynamicsquantum chemistrymolecular pumpmolecular recognitionpseudorotaxanemacrocyclemacrocyclic ringaxle component moleculesaxle binding sitesaxlediazobenzenecrown etherscrown ether wheelmodeling and simulationratchet potentialsupramolecular chemistryself assemblyDiazobenzenediazobenzene moietymolecular wheelssimulation and modelingcomputational simulationsmolecular motorsmolecular switchesmolecular componentsinterlocked moleculeComputational ChemistryNanochemistry and Supramolecular ChemistryQuantum ChemistrySupramolecular ChemistryTheoretical and Computational Chemistry not elsewhere classifiedChemical Sciences not elsewhere classifiedPhysical Chemistry not elsewhere classifiedPhysical Organic ChemistryChemical Thermodynamics and EnergeticsMolecular PhysicsOrganic Chemistry not elsewhere classifiedReaction Kinetics and Dynamics
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