Electronic landscape of the P-cluster of nitrogenase as revealed through many-electron quantum wavefunctions

14 May 2019 Li Zhendong Guo Sheng Sun Qiming Chan Garnet Kin-Lic

The electronic structure of the nitrogenase metal cofactors is central to nitrogen fixation. However, the P-cluster and iron molybdenum cofactor, each containing eight irons, have resisted detailed characterization of their electronic properties... (read more)

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Categories


  • CHEMICAL PHYSICS
  • STRONGLY CORRELATED ELECTRONS
  • QUANTUM PHYSICS