X-ray spectroscopy is an important tool for scientific analysis. While the earliest
demonstration experiments were realised in the laboratory, with the advent of synchrotron …

Electrons are the workhorses of solar energy conversion. Conversion of the energy of light to
electricity in photovoltaics, or to energy-rich molecules (solar fuel) through photocatalytic …

In this contribution to the special software-centered issue, the ORCA program package is
described. We start with a short historical perspective of how the project began and go on to …

Lytic polysaccharide monooxygenases (LPMOs) catalyze the degradation of recalcitrant
carbohydrate polysaccharide substrates. These enzymes are characterized by a …

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 …

We report the development of a laboratory-based Rowland-circle monochromator that
incorporates a low power x-ray (bremsstrahlung) tube source, a spherically bent crystal …

In this perspective, the HERFD-XANES (high energy resolution fluorescence detected X-ray
absorption near edge structure) and Kβ2, 5-or V2C-XES (valence-to-core X-ray emission …

Conspectus A long-standing goal of inorganic chemists is the ability to decipher the
geometric and electronic structures of chemical species. This is particularly true for the study …

Four homo-and heteroleptic complexes bearing both polypyridyl units and N-heterocyclic
carbene (NHC) donor functions are studied as potential noble metal-free photosensitizers …

Use of a macrocyclic tetracarbene ligand, which is topologically reminiscent of tetrapyrrole
macrocycles though electronically distinct, has allowed for the isolation, X-ray …