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Force field representation of the UO22+ cation from free energy MD simulations in water. Tests on its 18-crown-6 and NO3− adducts, and on its calix[6]arene6− and CMPO complexes

Inorganic ChemistryEngineeringPhysicsUo22+ CationNatural SciencesChemical BondCmpo ComplexesComputational ChemistryChemistryQuantum ChemistryForce Field RepresentationChemical ThermodynamicsInorganic Compound