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Polarizable force fields for accurate molecular simulations of aqueous solutions of electrolytes, crystalline salts, and solubility: Li+, Na+, K+, Rb+, F−, Cl−, Br−, I−

Jan Dočkal, Martin Lı́sal, Filip Moučka

2022Journal of Molecular Liquids20 citationsDOI

Topics & Concepts

HalideAqueous solutionPolarizabilityAlkali metalElectrolyteChemistryMolecular dynamicsSolubilityIonChemical physicsLattice energyThermodynamicsInorganic chemistryComputational chemistryPhysical chemistryMoleculeCrystallographyCrystal structurePhysicsOrganic chemistryElectrodeSpectroscopy and Quantum Chemical StudiesElectrostatics and Colloid InteractionsMaterial Dynamics and Properties
Polarizable force fields for accurate molecular simulations of aqueous solutions of electrolytes, crystalline salts, and solubility: Li+, Na+, K+, Rb+, F−, Cl−, Br−, I− | Litcius