The Crystal program for quantum-mechanical simulations of materials has been bridging the
realm of molecular quantum chemistry to the realm of solid state physics for many years …

Americium and curium, present in spent nuclear fuel, are carried forward to the high-level
wastes (HLW) upon its reprocessing within the closed nuclear fuel cycle strategy. These …

We report the use of solution and solid-state 31P Nuclear Magnetic Resonance (NMR)
spectroscopy combined with Density Functional Theory calculations to benchmark the …

The successful management and safe disposal of high-level nuclear waste necessitate the
efficient separation of actinides (An) from lanthanides (Ln), which has emerged as a crucial …

The layered 2D van der Waals ferromagnets CrX3 (X= Cl, Br, I) show broad d–d
photoluminescence (PL). Here we report preparation, structural characterization, and …

Designing ligands with efficient actinide (An (III))/lanthanide (Ln (III)) separation performance
is still one of the key issues for the disposal of accumulated radioactive waste and the …

The design and development of a water-soluble heterocyclic ligand are believed to be an
alternative way for improving the separation efficiency of actinides from lanthanides. Herein …

One of the most intensely studied areas of f-block chemistry is the nature of the bonds
between the f-element and another species, and in particular the role played by covalency …

Curium is unique in the actinide series because its half-filled 5 f 7 shell has lower energy
than other 5 fn configurations, rendering it both redox-inactive and resistant to forming …

Computational studies of the coordination chemistry and bonding of lanthanides have grown
in recent decades as the need for understanding the distinct physical, optical, and magnetic …