First-Principles Calculations of Fischer-Tropsch Processes Catalyzed by Nitrogenase Enzymes

Authors
Joel B. Varley,
Jens K. Nørskov
Year of publication
2013
Journal
ChemCatChem
Issue
3
Volume
5
Starting page
732
Ending page
736
Nitrogenases are bacterial enzymes that provide reduced nitrogen to the biogeochemical nitrogen cycle, in which they account for more than half of the supply in nature.[1] The fact that nitrogenases are capable of fixing N2 under ambient conditions has made them ...
Keywords
density functional calculations; electrocatalysis; enzyme catalysis; metalloenzymes; reduction; iron-molybdenum cofactor; femo-cofactor; protein; carbon; spectroscopy; mechanism; electron; complex
Funding sources