The abundance of solar thermal energy and the widespread demands for waste heat
recovery make thermoelectric generators (TEGs) very attractive in harvesting low‐cost …

We introduce density functional theory and review recent progress in its application to
transition metal chemistry. Topics covered include local, meta, hybrid, hybrid meta, and …

Seventeen Cu complexes with formal oxidation states ranging from CuI to CuIII are
investigated through the use of multiedge X-ray absorption spectroscopy (XAS) and density …

The Fourier transform of the k-weighted EXAFS shows a predominant peak, which is
originated from the nearestneighbor sulfur coordination shell around the Ni atoms. Base on …

This review provides a detailed account of density functional theory (DFT) and its application
to the calculation of molecular properties of inorganic compounds. After introducing some …

The complex [Co (bdt) 2]−(where bdt= 1, 2-benzenedithiolate) is an active catalyst for the
visible light driven reduction of protons from water when employed with Ru (bpy) 32+ as the …

A series of organometallic copper complexes in formal oxidation states ranging from+ 1 to+
3 have been characterized by a combination of Cu K-edge X-ray absorption (XAS) and Cu …

X-ray absorption spectroscopy (XAS) produces a wealth of information about the local
structure of materials, but interpretation of spectra often relies on easily accessible trends …

Nickel K-and L2, 3-edge X-ray absorption spectra (XAS) are discussed for 16 complexes
and complex ions with nickel centers spanning a range of formal oxidation states from II to …

The fundamental redox chemistry and valence electronic structure of the lanthanides in
molecular complexes and extended solids continues to be a fertile area of research. The …