Theoretical study of the mechanism of oxoiron(IV) formation from H ₂O₂ and a nonheme iron(II) complex: O-O cleavage involving proton-coupled electron transfer

Physics & Astronomy

• cleavage 100%
• electron transfer 98%
• iron 69%
• protons 63%
• England 23%
• histidine 23%
• glutamates 22%
• atomic energy levels 17%
• enzymes 17%
• ligands 16%
• catalysts 15%
• acids 14%
• chemistry 13%
• switches 13%
• density functional theory 12%
• ground state 10%

Chemical Compounds

• Electron Transfer 67%
• Cleavage 66%
• Glutamate Residue 27%
• Histidine Residue 22%
• Spin State 21%
• Reaction Path 20%
• Triplet State 19%
• Heme 18%
• Peroxidase 17%
• Ground State 15%
• Density Functional Theory 12%
• Ligand 8%
• Amount 8%
• Catalyst 8%
• Reaction Yield 7%
• Surface 6%