Dethreading of a Photoactive Azobenzene-Containing Molecular Axle from a Crown Ether Ring
journal contribution
posted on 2017-04-10, 01:15 authored by gloria tabacchigloria tabacchi, Serena Silvi, Margherita Venturi, Alberto Credi, Ettore FoisGreen open access version of the article:
"Dethreading of a Photoactive Azobenzene-Containing Molecular Axle from a Crown Ether Ring: A Computational Investigation"
published in:
ChemPhysChem 2016, 17, 1913-1919. DOI: 10.1002/cphc.201501160
which should be cited to refer to this work.
The links below refer to: the paper at publisher's site; supporting data; popular summaries of the research; two movies of the dethreading process of the two rotaxanes; high resolution figures
Funding
Italian Ministry of Education, University and Research. Grant Number: PRIN 2010CX2TLM; University of Bologna
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- Computational chemistry
- Nanochemistry
- Supramolecular chemistry
- Physical properties of materials
- Physical chemistry not elsewhere classified
- Theoretical quantum chemistry
- Theoretical and computational chemistry not elsewhere classified
- Nanoelectromechanical systems
- Nanofabrication, growth and self assembly
- Nanomaterials
- Nanotechnology not elsewhere classified
- Other chemical sciences not elsewhere classified
- Atomic and molecular physics
Keywords
molecular machinesrotaxanemolecular motorsunidirectional transitdethreadingthreadingazobenzenechemical sciencesself assemblydensity functional calculationsDFTmetadynamicsfirst principles molecular dynamicsmodeling and simulationscomputational modelscompchemmolecular dynamicssupramolecular chemistryComputational ChemistryNanochemistry and Supramolecular ChemistryPhysical Chemistry of MaterialsPhysical Chemistry not elsewhere classifiedQuantum ChemistrySupramolecular ChemistryTheoretical and Computational Chemistry not elsewhere classifiedNanoelectromechanical SystemsNanofabrication, Growth and Self AssemblyNanomaterialsNanotechnology not elsewhere classifiedChemical Sciences not elsewhere classifiedMolecular Physics
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