The control of luminous radiation has extremely important implications for modern and future
technologies as well as in medicine. In this Review, we detail chemical structures and their …

Nitrogenases are responsible for biological nitrogen fixation, a crucial step in the
biogeochemical nitrogen cycle. These enzymes utilize a two-component protein system and …

Transition metal–sulfur (M–S) compounds are an indispensable means for biological
systems to convert N2 into NH3 (biological N2 fixation), and these may have emerged by …

The idea to use quantum mechanical devices to simulate other quantum systems is
commonly ascribed to Feynman. Since the original suggestion, concrete proposals have …

We propose a practical algorithm for calculating Heisenberg exchange integrals, J, in
multispin systems using broken-symmetry methods. Our generalized spin-projection (GP) …

1. INTRODUCTION Stable, open-shell (d1− d9) transition metal complexes in which the
metal is two-coordinate or quasi-two-coordinate are among the rarest and least investigated …

These can be considered substituted versions of all-iron 36. Although MFe3S4 cores depart
from the familiar and efficient idealized symmetry of the Fe4S4 cubane structure, the …

Among the more compelling challenges in the synthetic analogue approach to
metalloprotein active sites is the construction of metal clusters that are meaningful …

The electronic structure of the nitrogenase metal cofactors is central to nitrogen fixation.
However, the P-cluster and FeMo cofactor, each containing eight Fe atoms, have eluded …

This contribution presents an overview of the structural features and third-order optical non-
linearities of the principal classes of transition heterothiometallic clusters, and demonstrates …