First-principles-derived kinetics of the reactions involved in low-temperature dimethyl ether oxidation

Chemistry

• First Principle 100%
• Formic Acid 100%
• Formate 100%
• Dimethyl Ether 100%
• Density Functional Theory 50%
• Kinetic Method 50%
• Isomerization 50%
• Vibrational Frequency 50%
• Rate Constant 50%
• Moment of Inertia 50%
• DFT-B3LYP Calculation 50%
• Master Equation 50%
• Carbon Dioxide 50%
• Stirred Reactor 50%

Keyphrases

• CH2OO 100%
• Density Functional Theory DFT 33%
• Variational RRKM 33%
• RRKM Theory 33%
• Barrierless Reactions 33%

Chemical Engineering

• Formic Acid 100%