Polarizable interaction potential for molecular dynamics simulations of actinoids(III) in liquid water.
Duvail M, Martelli F, Vitorge P, Spezia R.
Duvail M, et al. Among authors: spezia r.
J Chem Phys. 2011 Jul 28;135(4):044503. doi: 10.1063/1.3613699.
J Chem Phys. 2011.
PMID: 21806134
This potential has the same analytical form as was recently used for lanthanoid(III) hydration [M. Duvail, P. Vitorge, and R. Spezia, J. Chem. Phys. 130, 104501 (2009)]. The hydration structure obtained with this potential is in good agreement with the experimentall …
This potential has the same analytical form as was recently used for lanthanoid(III) hydration [M. Duvail, P. Vitorge, and R. Spez …