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A combined QTAIM, DFT and molecular dynamics study on the nanoscale dynamical and structural organization of imidazolium-based dicationic ionic liquids

Zahra Ostadsharif Memar, Majid Moosavi

2022Journal of Molecular Liquids14 citationsDOI

Topics & Concepts

Ionic liquidMolecular dynamicsIonic bondingNanoscopic scaleChemical physicsComputational chemistryDynamics (music)ChemistryMaterials scienceNanotechnologyIonPhysicsOrganic chemistryCatalysisAcousticsIonic liquids properties and applicationsThermodynamic properties of mixturesElectrochemical Analysis and Applications
A combined QTAIM, DFT and molecular dynamics study on the nanoscale dynamical and structural organization of imidazolium-based dicationic ionic liquids | Litcius