Understanding the interactions between CO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si92.svg" display="inline" id="d1e1797"><mml:msub><mml:mrow/><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:math> and selected choline-based deep eutectic solvents using density functional theory
Mahula Santra, Deepak Kunzru, Dharamashi Rabari
Topics & Concepts
Chemistryvan der Waals forceCholine chlorideHydrogen bondEthylene glycolAtoms in moleculesEutectic systemMoleculeDensity functional theoryInteraction energyComputational chemistryPhysical chemistryCrystallographyOrganic chemistryMicrostructureIonic liquids properties and applicationsPhase Equilibria and ThermodynamicsThermodynamic properties of mixtures