Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes

Chemistry

• Møller-Plesset Perturbation Theory 100%
• Coupled Cluster Singles and Doubles Theory 66%
• Error 50%
• Energy 50%
• Procedure 33%
• Density Functional Theory 33%
• Basis Set 33%
• Quantum Mechanical Method 33%
• Second Order 16%
• Electron Spin 16%
• Biochemical 16%
• Enzymatic Reaction 16%
• Catalysis 16%
• k·p perturbation theory 16%
• Stress Corrosion Cracking 16%
• Semi-Empirical Method 16%