Ab initio chemical kinetics for the NH₂ + HNO_x reactions, part I: Kinetics and mechanism for NH₂ + HONO

Keyphrases

• Temperature Range 100%
• Cm(III) 100%
• Chemical Kinetics 100%
• Branching Ratio 50%
• Potential Energy Surface 50%
• Reaction Channel 50%
• Single Point 50%
• Binding Energy 50%
• Rice-Ramsperger-Kassel-Marcus 50%
• Marcus Theory 50%
• CCSD(T) 50%
• Reverse Reaction 50%
• Ab Initio Calculations 50%
• Canonical Variational Transition State Theory 50%
• Rate Constant Prediction 50%

Chemistry

• Rate Constant 100%
• Ammonia 75%
• Nitrogen Dioxide 50%
• CCSD 50%
• Ab Initio Calculation 25%
• Potential Energy Surface 25%
• Binding Energy 25%
• Transition State Theory 25%

Engineering

• Rate Constant 100%
• Temperature Range 50%
• Good Agreement 25%
• Mols 25%
• Potential Energy 25%
• Energy Surface 25%
• Branching Ratio 25%
• Binding Energy 25%
• Reverse Reaction 25%