Small molecules such as H2, N2, CO, NH3, O2 are ubiquitous stable species and their
activation and role in the formation of value-added products are of fundamental importance …

A longstanding research goal has been to understand the nature and role of copper–oxygen
intermediates within copper-containing enzymes and abiological catalysts. Synthetic …

Solar-powered water splitting is a dream reaction for constructing an artificial photosynthetic
system for producing solar fuels. Natural photosystem II is a prototype template for research …

A periodic density functional theory study complemented by ab initio thermodynamic
analysis was carried out to identify the active sites and mechanism of selective oxidation of …

The impetus to modeling of enzyme active sites comes from their potential to provide insight
to the mechanistic pathways of the native enzymes, establish the role of that particular metal …

Direct conversion of methane to methanol using oxygen is experiencing renewed interest
owing to the availability of new natural gas resources. Copper-exchanged zeolites such as …

Enzymes are long established as extremely efficient catalysts. Here, we show that enzymes
can also be extremely efficient electro catalysts (catalysts of redox reactions at electrodes) …

Metal− oxos are critical intermediates for the management of oxygen and its activation. The
reactivity of the metal− oxo is central to the formation of O− O bonds, which is the essential …

No laughing matter, nitrous oxide's role in stratospheric ozone depletion and as a
greenhouse gas has stimulated great interest in developing and understanding its …

Transition-metal complexes of O2 and N2 play an important role in the environment,
chemical industry, and metalloenzymes. This Perspective compares and contrasts the …