The latest experimental and theoretical studies on structural and dynamical properties of
lanthanoid (III) and actinoid (III) ions in water have been reviewed. In the last years, most of …

Metal ions play significant roles in biological systems. Accurate molecular dynamics (MD)
simulations on these systems require a validated set of parameters. Although there are more …

Trivalent rare-earth ions were extracted from nitric acid medium by the neutral phosphine
oxide extractant Cyanex 923 into ionic liquid phases containing the bis …

The review deals with the results of theoretical modelling of the structures and properties of
actinide and lanthanide complexes with donor organic ligands used as selective extractants …

In this paper, we propose a new nonpolarizable force field for describing the Ln3+ (Ln=
lanthanide) series based on a 12-6-4 Lennard-Jones potential. The development of the …

The growth in the world's nuclear industry, motivated by peaking world oil supplies,
concerns about the greenhouse effect, and domestic needs for energy independence, has …

At present, designing novel ligands for efficient actinide extraction in spent nuclear fuel
reprocessing is extremely challenging due to the complicated chemical behaviors of …

The improving sensitivity of mass-spectrometers has opened the potential of using stable
isotope signatures of the rare Earth elements (REE) as geochemical tracers. However, thus …

A synergic approach combining molecular dynamics (MD) simulations and X-ray absorption
spectroscopy (XAS) has been used to investigate diluted (0.1 M) aqueous solutions of two …

Trends in lanthanide (III)(LnIII) coordination were investigated within nanoconfined solvation
environments. LnIII ions were incorporated into the cores of reverse micelles (RMs) formed …