Quantum mechanical calculations of redox potentials of the metal clusters in nitrogenase

HIGHLIGHTS

• who: Hao Jiang et al. from the Division of Theoretical Chemistry, Department of Chemistry, University, POBox , have published the paper: Quantum Mechanical Calculations of Redox Potentials of the Metal Clusters in Nitrogenase, in the Journal: Molecules 2022, 27, x FOR PEER REVIEW prismatic of /2022/
• what: The authors show that the later (E4 -E8 ) states of the reaction mechanism have redox potential that are more positive (i.e. more exothermic) than that of the E0 /E1 couple. The authors study four issues: First, the authors examine whether the computational method works also for the more . . .
  

   

  

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