As a result of the adaptation of life to an aerobic environment, nature has evolved a panoply
of metalloproteins for oxidative metabolism and protection against reactive oxygen species …

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 …

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 …

Alkanes constitute the cheapest and most abundant feedstock for organic chemicals.
However, the redistribution of CsC and CsH bonds in hydrocarbons into more sophisticated …

Dipyrromethene ligand scaffolds were synthesized bearing large aryl (2, 4, 6-Ph3C6H2,
abbreviated Ar) or alkyl (t Bu, adamantyl) flanking groups to afford three new disubstituted …

Quantum mechanical tunneling of atoms is increasingly found to play an important role in
many chemical transformations. Experimentally, atom tunneling can be indirectly detected …

TAML activators of peroxides are iron (III) complexes. The ligation by four deprotonated
amide nitrogens in macrocyclic motifs is the signature of TAMLs where the macrocyclic …

C–H activation by transition metal oxo complexes is a fundamental reaction in oxidative
chemistry carried out by both biological and synthetic systems. This centrality has motivated …

Metal–organic frameworks are a new class of heterogeneous catalysts in which molecular-
level control over both the immediate and long-range chemical environment surrounding a …

The bis (arylimidazol-2-ylidene) pyridine cobalt methyl complex,(iPrCNC) CoCH3, was
evaluated for the catalytic hydrogenation of alkenes. At 22° C and 4 atm of H2 …