The presence of covalency in complexes of the 4f and 5f elements has been a source of
intense research and controversy. In addition to academic interest in this debate, there is an …

The concept of valence and core electrons is familiar to every chemist and underlying, for
example, the ordering of the elements in the periodic table. For many qualitative …

Gaussian (14s13p10d8f6g)/[6s6p5d4f3g] atomic natural orbital valence basis sets have
been generated for relativistic energy-consistent small-core actinide pseudopotentials of the …

Gaussian (14s13p10d8f6g)/[10s9p5d4f3g] valence basis sets using a segmented
contraction scheme have been derived for relativistic energy-consistent small-core actinide …

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 …

Increasing interest in the computational modeling of actinide compounds creates the need
for alternative choices when in comes to fine tuning the computational methodology in order …

Uranyl (UO22+) is an exceptionally stable molecular species, characterized by a linear OUO
geometry and short U–O bonds. Its two oxo ligands are thought to be inert to exchange and …

Molecular Structure of Metal Halides | Chemical Reviews ACS ACS Publications C&EN CAS
Find my institution Log In Chemical Reviews ACS Publications. Most Trusted. Most Cited. Most …

This study identifies how the amidoximate anion, AO, interacts with the uranyl cation,
UO22+. Density functional theory calculations have been used to evaluate possible binding …

Interest in the chemistry of the early actinide elements (notably uranium through americium)
usually results either from the nuclear waste problem or the unique chemistry of these …