Hydration gibbs free energies of open and closed shell trivalent lanthanide and actinide cations from polarizable molecular dynamics

Author:

Marjolin Aude,Gourlaouen Christophe,Clavaguéra Carine,Ren Pengyu Y.,Piquemal Jean-Philip,Dognon Jean-Pierre

Publisher

Springer Science and Business Media LLC

Subject

Computational Theory and Mathematics,Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Computer Science Applications,Catalysis

Reference48 articles.

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2. Choppin G, Jensen M (2011) Actinides in Solution: Complexation and Kinetics. In: Morss L, Edelstein N, Fuger J (eds) The Chemistry of the Actinide and Transactinide Elements. Springer, Netherlands, pp 2524–2621

3. David FH (2008) About low oxidation states, hydration and covalence properties of f elements. Radiochim Acta 96(3):135–144

4. Marcus Y (1994) A simple empirical model describing the thermodynamics of hydration of ions of widely varying charges, sizes, and shapes. Biophys Chem 51(2–3):111–127

5. Clavaguéra-Sarrio C, Brenner V, Hoyau S, Marsden CJ, Millié P, Dognon JP (2003) Modeling of uranyl cation − water clusters. J Phys Chem B 107(13):3051–3060

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