Actinides are the heaviest chemical elements with practical relevance. Among them, only
thorium and uranium can be found in nature in substantial quantities, while natural …

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 …

Understanding the energy it takes to build or break chemical bonds is essential for scientists
and engineers in a wide range of innovative fields, including catalysis, nanomaterials …

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 …

Over 70 years of chemical investigations have shown that plutonium exhibits some of the
most complicated chemistry in the periodic table. Six Pu oxidation states have been …

Uranyl cation, as an emerging photocatalyst, has been successfully applied to synthetic
chemistry in recent years and displayed remarkable catalytic ability under visible light …

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 capture of uranyl, UO22+, by a recently engineered protein (Zhou et al. Nat. Chem.
2014, 6, 236) with high selectivity and femtomolar sensitivity has been examined by a …

Adsorption at mineral surfaces is a critical factor controlling the mobility of uranium (VI) in
aqueous environments. Therefore, molecular dynamics (MD) simulations were performed to …

An assessment of the gas-phase energetics of neutral and singly and doubly charged
cationic actinide monoxides and dioxides of thorium, protactinium, uranium, neptunium …