Reactions of the light actinide ions (Th to Cm) at the mineral− aqueous solution interface
have attracted much attention during recent years. Initially research was mainly driven by the …

The simplest reaction on a metal ion in aqueous or nonaqueous solution is the exchange of
a solvent molecule between the first and second coordination shells (eq 1). This reaction is …

This Feature Article seeks to present the current state of knowledge, both experimental and
theoretical, of the electronic structure and bonding in actinyl ions and related species, such …

By 1911, the atomic weight of uranium had been refined to 238.5 (Gmelin, vol. A2, 1980a).
The natural isotope 235 U was discovered in 1935 by mass spectrometry. The artificial …

The title compounds,[AnO2 (H2O) 5] n+, n= 1 or 2 and An= U, Np, and Pu, are studied using
relativistic density functional theory (DFT). Three rather different relativistic methods are …

The emphasis of this review is on the combination of experimental and theoretical methods
to obtain microscopic information on the chemistry of actinides in aqueous solution. A brief …

Actinide oxalates are an important class of materials mainly for the nuclear industry. This
review presents the crystal growth methods addressed to non-soluble actinide (III) and (IV) …

The structures and vibrational frequencies of UO2 (H2O) 42+ and UO2 (H2O) 52+ have
been calculated using density functional theory and are in reasonable agreement with …

The coordination environment of uranyl in water has been studied using a combined
quantum mechanical and molecular dynamics approach. Multiconfigurational wave function …

Potential-based molecular dynamics simulations of aqueous uranyl carbonate species
(MxUO2 (CO3) y2+ 2x− 2y with M= Mg, Ca, or Sr) were carried out to gain molecular-level …