Toward accurate solvation dynamics of lanthanides and actinides in water using polarizable force fields: From gas-phase energetics to hydration free energies

Aude Marjolin, Christophe Gourlaouen, Carine Clavaguéra, Pengyu Y. Ren, Johnny C. Wu, Nohad Gresh, Jean Pierre Dognon, Jean Philip Piquemal

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Chemical Compounds