A density functional study of possible intermediates of the reaction of dioxygen molecule with non-heme iron complexes. 1. N-side versus O-side mechanism with water-free model

Keyphrases

• Fe(III) 100%
• Non-heme Iron 100%
• Dioxygen 100%
• Density Functional Study 100%
• O2 Molecule 100%
• Mixed-valence Species 100%
• Water-free 100%
• Mechanistic Aspects 50%
• Fe(II) 50%
• Reduced Form 50%
• Mixed Valence 50%
• Biological Stimulation 50%
• Protein Backbone 50%
• Density Functional Method 50%
• Ribonucleotide Reductase 50%
• Energy Profile 50%
• Diiron 50%
• Metalloenzymes 50%
• Methane Monooxygenase 50%
• Hybrid Density Functional 50%
• Dinuclear Iron 50%
• O2 Activation 50%

Chemistry

• Dioxygen 100%
• Density Functional Theory 100%
• Iron Complex 100%
• Mixed Valence 100%
• Heme 100%
• Methane 33%
• Metalloenzyme 33%
• Monooxygenase 33%
• Ribonucleotide 33%

Biochemistry, Genetics and Molecular Biology

• Iron Complex 100%
• Metalloenzyme 100%
• Ribonucleotide Reductase 100%
• Methane Monooxygenase 100%