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 …

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 …

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 …

Reduction of the uranium metallocene [η 5-1, 2, 4-(Me3C) 3C5H2] 2UCl2 (1), Cp '2UCl2, in
the presence of 2, 2 '-bipyridyl and sodium naphthalene gives the dark green metallocene …

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 …

Sorption of U (VI) to goethite is a fundamental control on the mobility of uranium in soil and
groundwater. Here, we investigated the sorption of U on goethite using EXAFS …

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 …

We briefly review advances in computational actinoid (An) chemistry during the past ten
years in regard to two issues: the geometrical and electronic structures, and reactions. The …