ACS Omega (Dec 2021)

Estimations of Fe–N2 Intrinsic Interaction Energies of Iron–Sulfur/Nitrogen–Carbon Sites: A Deeper Bonding Insight by EDA-NOCV Analysis of a Model Complex of the Nitrogenase Cofactor

  • Sai Manoj N. V. T. Gorantla,
  • Kartik Chandra Mondal

DOI
https://doi.org/10.1021/acsomega.1c05238
Journal volume & issue
Vol. 6, no. 49
pp. 33932 – 33942

Abstract

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