XPS experimental and DFT investigations on solid solutions of MoReS (0 < x < 0.20).

The synthesis, characterization, experimental X-ray photoelectron spectra (XPS) and density-functional theory (DFT) investigations on solid solutions of Mo1-xRexS2 (x = 0.05, 0.10, 0.

Stabilization of Ni dimers in hexacyano Mo cluster-based Prussian blue derivatives: experimental and theoretical investigations of magnetic properties.

Herein, two new octahedral molybdenum cyanide cluster compounds, namely [{Ni(NH)}{Ni(NH)}][MoBrQ(CN)]·12HO, Q = S (1) and Se (2), have been synthesized as single crystals by slow diffusion of a solution of nickel chloride into aqueous ammonia solutions of a KCs[MoBrQ(CN)] molybdenum cyanide cluster-based compound. Both 1 and 2 were structurally characterized by single-crystal X-ray diffraction. They are isostructural and crystallize in the cubic system (Im3[combining macron]m (no.