Abstract The [FeFe]-and [NiFe]-hydrogenases catalyze the formal interconversion between
hydrogen and protons and electrons, possess characteristic non-protein ligands at their …

This article sets out to review the chemistry relating to the synthesis of structural and
functional analogues of the three classes of hydrogenases. This chemistry has grown …

The electrochemical hydrogen evolution reaction is catalyzed most effectively by the Pt
group metals. As H2 is considered as a future energy carrier, the need for these catalysts will …

A number of reconstructions of millennial-scale climate variability have been carried out in
order to understand patterns of natural climate variability, on decade to century timescales …

Formation of stable iron hydrides on more nucleophilic (electron-rich) metal centers than
those found in hydrogenases with CO ligands would inhibit or at least slow down function …

The reversible reduction protons to dihydrogen: 2H++ 2e⇌ H2 is deceptively the simplest of
reactions but one that requires multistep catalysis to proceed at practical rates. How the …

▪ Abstract We describe large scale ab initio quantum chemical and mixed quantum
mechanics/molecular mechanics (QM/MM) methods for studying enzymatic reactions. First …

Fossil fuels like coal, oil, and natural gases are not renewable on a human time scale and
when combusted they pollute the earth's atmosphere with carbon dioxide. The latter is …

Hydrogenases are enzymes catalyzing the reversible heterolytic splitting of molecular
hydrogen. Despite extensive investigations of this class of enzymes its catalytic mechanism …

The metal-sulphur active sites of hydrogenases catalyse hydrogen evolution or uptake at
rapid rates. Understanding the structure and function of these active sites—through …