There exist 16 well-defined molecular hexafluorides. Only a small number of yet unknown or
ill-defined ones remain to be isolated. The first one to be generated has certainly been SF6 …

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 …

High level electronic structure calculations were used to evaluate reliable, self-consistent
thermochemical data sets for the third row transition metal hexafluorides. The electron …

This chapter reviews possible experimental aspects of relativistic effects in heavier Main
Group elements and their compounds. Attention is focused on the sixth, seventh and eighth …

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 …

This textbook introduces the general points of view of research methodology in the scientific
and engineering fields of studies and presents an overview of the technical and professional …

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 …

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 …

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 …