Global ammonia production reached 175 million metric tons in 2016, 90% of which is
produced from high purity N2 and H2 gases at high temperatures and pressures via the …

Nitrogenase is the enzyme that catalyzes biological N2 reduction to NH3. This enzyme
achieves an impressive rate enhancement over the uncatalyzed reaction. Given the high …

Nitrogen (N) is used in many of life's fundamental biomolecules, and it is also a participant in
environmental redox chemistry. Biogeochemical processes control the amount and form of N …

The plant microbiomes play important role in plant growth promotion and soil fertility for
sustainable agriculture. Plant and soil are valuable natural resource harbouring hotspots of …

Abstract The Mo/Fe nitrogenase enzyme is unique in its ability to efficiently reduce
dinitrogen to ammonia at atmospheric pressures and room temperature. Should an artificial …

Nitrogenase is the only enzyme capable of reducing N2 to NH3. This challenging reaction
requires the coordinated transfer of multiple electrons from the reductase, Fe-protein, to the …

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

Quantum computing and simulations are creating transformative opportunities by exploiting
the principles of quantum mechanics in new ways to generate and process information. It is …

Biological nitrogen fixation is catalyzed by the enzyme nitrogenase, which facilitates the
cleavage of the relatively inert triple bond of N2. Nitrogenase is most commonly associated …

The multiscaling quantum mechanics/molecular mechanics (QM/MM) approach was
introduced in 1976, while the extensive acceptance of this methodology started in the 1990s …