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Investigate the ability of deep eutectic solvent (ChCl-glycerol) to sense the sulphur dioxide using density functional theory calculations and molecular dynamics simulations

Madhur Babu Singh, Ayushi Prajapat, Pallavi Jain, Prashant Singh, Indra Bahadur, Nagendra Kumar Kaushik, Nagendra Kumar Kaushik, Neha Kaushik, Neha Kaushik, Kamlesh Kumari, Kamlesh Kumari

2023Journal of Molecular Liquids17 citationsDOI

Topics & Concepts

Density functional theoryEutectic systemDeep eutectic solventSense (electronics)Molecular dynamicsSolventSulfur dioxideChemistryGlycerolSulfurDynamics (music)Computational chemistryMaterials scienceChemical physicsPhysical chemistryInorganic chemistryOrganic chemistryPhysicsAlloyAcousticsIonic liquids properties and applicationsChemical and Physical Properties in Aqueous SolutionsElectrochemical Analysis and Applications
Investigate the ability of deep eutectic solvent (ChCl-glycerol) to sense the sulphur dioxide using density functional theory calculations and molecular dynamics simulations | Litcius