Pure and Applied Chemistry, 2013, Volume 85, No. 1, pp. 237-246, References

Pure Appl. Chem., 2013, Vol. 85, No. 1, pp. 237-246

http://dx.doi.org/10.1351/PAC-CON-12-02-08

Published online 2012-07-01

Lanthanoids(III) and actinoids(III) in water: Diffusion coefficients and hydration enthalpies from polarizable molecular dynamics simulations

Fausto Martelli¹, Sacha Abadie¹, Jean-Pierre Simonin², Rodolphe Vuilleumier³ and Riccardo Spezia¹*

¹ Laboratoire Analyse et Modélisation pour la Biologie et l’Environnement, UMR 8587 CNRS-CEA-UEVE, Université d’Evry Val d’Essonne, Evry, France
² Laboratoire PECSA (UMR CNRS 7195), Université P.M. Curie, Paris, France
³ Ecole Normale Supérieure, Département de Chimie, Paris, France, and UPMC Université Paris 06, UMR 8640 CNRS-ENS-UPMC, Paris, France

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Lanthanoids(III) and actinoids(III) in water: Diffusion coefficients and hydration enthalpies from polarizable molecular dynamics simulations

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Lanthanoids(III) and actinoids(III) in water: Diffusion coefficients and hydration enthalpies from polarizable molecular dynamics simulations

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