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 …

Metal-exchanged zeolites are a class of heterogeneous catalysts that perform important
functions ranging from selective hydrocarbon oxidation to remediation of NO x pollutants …

In nature, nonheme iron enzymes use dioxygen to generate high-spin iron (IV)= O species
for a variety of oxygenation reactions. Although synthetic chemists have long sought to …

High-valent iron-oxo intermediates have often been implicated, and in some cases
identified, as the active oxidant in oxygen activating nonheme iron enzymes. Recent …

The challenge of activating inert C–H bonds motivates a study of catalysts that draws from
what can be accomplished by natural enzymes and translates these advantageous features …

Mononuclear non-haem iron (NHFe) enzymes catalyse a broad range of oxidative reactions,
including halogenation, hydroxylation, ring closure, desaturation and aromatic ring cleavage …

Iron–oxygen species, such as iron (IV)-oxo, iron (III)-superoxo, iron (III)-peroxo, and iron (III)-
hydroperoxo complexes, are key intermediates often detected in the catalytic cycles of …

Two major subclasses of mononuclear non-heme ferrous enzymes use two electron-
donating organic cofactors (α-ketoglutarate or pterin) to activate O2 to form FeIV═ O …

Methanotrophic bacteria utilize the nonheme diiron enzyme soluble methane
monooxygenase (sMMO) to convert methane to methanol in the first step of their metabolic …

Iron-containing zeolites exhibit unprecedented reactivity in the low-temperature
hydroxylation of methane to form methanol. Reactivity occurs at a mononuclear ferrous …