Theoretical studies on the reaction mechanisms of the oxidation of tetramethylethylene using MO₃Cl (M=Mn, Tc and Re)

Chemistry

• Potential Energy Surface 100%
• DFT-B3LYP Calculation 100%
• Surface Reaction 100%
• Oxidation Reaction 50%
• Density Functional Theory 50%
• Pseudopotential 50%
• Rate Constant 50%
• Electrophilicity 50%
• Multi-Step Reaction 50%
• Bond Length 50%
• Chemical Potential 50%
• Energetics 50%
• Transition Metal 50%
• formation 50%
• stability 50%
• Epoxide 50%
• epoxidation 50%

Material Science

• Surface Energy 100%
• Oxidation Reaction 100%
• Surface Reaction 100%
• Transition Metal 50%
• Theoretical Calculation 50%
• Epoxidation 50%
• Surface (Surface Science) 50%