Calibration of DFT Functionals for the Prediction of (57)Fe Mössbauer Spectral Parameters in Iron-Nitrosyl and Iron-Sulfur Complexes: Accurate Geometries Prove Essential

Lignende værker

• DFT Calculations on Mössbauer Parameters of Nonheme Iron Nitrosyls
  af: Hopmann, Kathrin H., et al.
  Udgivet: (2009)
• Broken-Symmetry DFT Computations for the Reaction Pathway of IspH, an Iron–Sulfur Enzyme in Pathogenic Bacteria
  af: Blachly, Patrick G., et al.
  Udgivet: (2015)
• Mössbauer Properties of the Diferric Cluster and the Differential Iron(II)-Binding Affinity of the Iron Sites in Protein R2 of Class Ia Escherichia coli Ribonucleotide Reductase: A DFT/Electrostatics Study
  af: Han, Wen-Ge, et al.
  Udgivet: (2011)
• MÖSSBAUER SPECTROSCOPY OF THE IRON-SULFUR PROTEINS
  af: Johnson, C. E., et al.
  Udgivet: (1969)
• DFT Calculations of Comparative Energetics and ENDOR/Mössbauer Properties for Two Protonation States of the Iron Dimer Cluster of Ribonucleotide Reductase Intermediate X
  af: Han, Wen-Ge, et al.
  Udgivet: (2009)