The concentrations of U in natural waters are usually low, being typically less than 4 μg/L in
river water, around 3.3 μg/L in open seawater, and usually less than 5 μg/L in groundwater …

Uranium (U) is of enormous global importance because of its use in energy generation,
albeit with potential environmental legacies. While naturally occurring U is widespread in the …

Specialized computational chemistry packages have permanently reshaped the landscape
of chemical and materials science by providing tools to support and guide experimental …

We discuss our implementation and application of time-dependent density functional theory
(TDDFT) to core-level near-edge absorption spectroscopy, using both linear-response (LR) …

Since the advent of the first computers, chemists have been at the forefront of using
computers to understand and solve complex chemical problems. As the hardware and …

Actinium-225 is a promising isotope for targeted-α therapy. Unfortunately, progress in
developing chelators for medicinal applications has been hindered by a limited …

Synchrotron radiation (SR) based techniques have been utilized with increasing frequency
in the past decade to explore the brilliant and challenging sciences of actinide‐based …

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 …

Incorporation of economically or environmentally consequential polyvalent metals into iron
(oxyhydr) oxides has applications in environmental chemistry, remediation, and materials …

In this work, a set of 12-6-4 force fields (FFs) parameters were developed for the actinyl
molecular cations, AnO2 n+(n= 1, 2), from uranium to plutonium for classical molecular …