Relativistic effects can strongly influence the chemical and physical properties of heavy
elements and their compounds. This influence has been noted in inorganic chemistry …

Starting from the model of a single d-electron in an octahedral crystal environment, the
Hamiltonian for linear and quadratic Jahn-Teller (JT) coupling and zeroth order as well as …

The structures and some vertical excitation energies of third-row transition metal
hexafluorides (MF6, M= Re, Os, Ir, Pt, Au, Hg) were calculated using the generalized-active …

The orbital-based natural language describing the complexity of chemistry (Stowasser, R.;
Hoffmann, RJ Am. Chem. Soc. 1999, 121, 3414) was extended by us recently to the …

Structural and chemical properties of charged and neutral Lithium microclusters are
investigated for Li _n^ q (n= 5-1 0, q= 0, ± 1). A total of 18 quantum conformational spaces …

The interplay between the coordination environment and magnetic properties in O3 layered
sodium transition metal oxides (NaTMO2) is a fascinating and complex problem. Through …

Ligand field theory, which explains the splitting of degenerate nd atomic orbitals due to static
electric fields from point-charge ligands, is rederived using Dirac orbitals instead of …

The article reported on the diastereomeric dinuclear mixed-valent complexes [(acac) 2Ru
(III)(μ-O)(μ-PzR) Ru (IV)(acac) 2](R= H, Me, meso: ΔΛ, 1a–1c; rac: ΔΔ/ΛΛ, 2a–2c) and rac …

The ruthenium “blue dimer”[(bpy) 2Ru (OH2)] 2O4+ the first well-defined molecular
complex able to catalyze water oxidation at low overpotentials has been the subject of …

Molecular platinum fluorides PtFn, n= 1–6, are prepared by two different routes, photo‐
initiated fluorine elimination from PtF6 embedded in solid noble‐gas matrices, and the …