Theory of chemical bonds in metalloenzymes XIII: Singlet and triplet diradical mechanisms of hydroxylations with iron-oxo species and P450 are revisited

Physics & Astronomy

• chemical bonds 100%
• broken symmetry 77%
• iron 62%
• configurations 46%
• molecular orbitals 43%
• diagrams 25%
• ligands 22%
• methane 20%
• density functional theory 16%
• orbitals 15%
• oxygenation 14%
• interactions 12%
• alkanes 12%
• coupled modes 10%
• energy transfer 8%
• projection 8%
• electronic structure 8%
• curves 5%
• predictions 5%
• approximation 5%

Chemical Compounds

• Chemical Bond 84%
• Electron Spin 72%
• Molecular Orbital 34%
• Orbital 20%
• Methane 19%
• Density Functional Theory 15%
• Radical Reaction 14%
• Oxygenation 13%
• DFT-B3LYP Calculation 13%
• Ligand 10%
• Alkane 10%
• Transition State 10%
• Electronic State 9%
• Energy 5%