All Stories

  1. Site-selective formation of an iron(iv)–oxo species at the more electron-rich iron atom of heteroleptic μ-nitrido diiron phthalocyanines
  2. Computational modelling of oxygenation processes in enzymes and biomimetic model complexes
  3. Thioether-ligated iron(ii) and iron(iii)-hydroperoxo/alkylperoxo complexes with an H-bond donor in the second coordination sphere
  4. Properties and reactivities of nonheme iron(iv)–oxo versus iron(v)–oxo: long-range electron transfer versus hydrogen atom abstraction
  5. Overview on Theoretical Studies Discriminating the Two-Oxidant Versus Two-State-Reactivity Models for Substrate Monoxygenation by Cytochrome P450 Enzymes
  6. Mechanistic insight into halide oxidation by non-heme iron complexes. Haloperoxidase versus halogenase activity
  7. Nonheme iron-oxo and -superoxo reactivities: O2 binding and spin inversion probability matter
  8. Predictive studies of H-atom abstraction reactions by an iron(iv)–oxo corrole cation radical oxidant
  9. Regioselectivity of aliphatic versus aromatic hydroxylation by a nonheme iron(ii)-superoxo complex
  10. Axial and equatorial ligand effects on biomimetic cysteine dioxygenase model complexes
  11. Nonheme ferric hydroperoxo intermediates are efficient oxidants of bromide oxidation
  12. Oxidative properties of a nonheme Ni(ii)(O2) complex: Reactivity patterns for C–H activation, aromatic hydroxylation and heteroatom oxidation
  13. New insights into the multi-step reaction pathway of the reductive half-reaction catalysed by aromatic amine dehydrogenase: a QM/MM study
  14. Electronic properties of pentacoordinated heme complexes in cytochrome P450 enzymes: search for an Fe(i) oxidation state