Gas‐phase experiments provide information which, in conjunction with results from
electronic structure calculations, help to unravel the critical role relativistic effects play in …

The subject of this article, the application of density functional theory (DFT) to molecular
systems containing actinide elements, is discussed in two parts. In the first part, a survey is …

A fundamental aspect of any element is the range of oxidation states accessible for useful
chemistry. This tutorial describes the recent expansion of the number of oxidation states …

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 …

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 application of UV-Vis and time-resolved laser-induced fluorescence (TRLF)
spectroscopies to direct speciation of uranium (VI) in environmental samples offers various …

Reactions of laser-ablated uranium atoms, cations, and electrons with O2 during
condensation with excess neon produce UO, UO2, UO3, UO2+, and UO2-as characterized …

A theoretical study is presented of the electronic spectra of the UO 2 2+ and UO 2 Cl 4 2−
ions, based on multiconfigurational perturbation theory (CASSCF/CASPT2), combined with …

The review describes recent developments in the low oxidation state chemistry of the rare-
earth elements since the publication in 2010 of Chapter 246 in this series on “The Molecular …