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

Keyphrases

• Chemical Kinetics 100%
• H-abstraction 100%
• Ar Pressure 100%
• Temperature Range 50%
• Branching Ratio 50%
• Potential Energy Surface 50%
• Single Point 50%
• Binding Energy 50%
• Barrier-free 50%
• CCSD(T) 50%
• Radical Intermediates 50%
• Ab Initio Calculations 50%
• Isoelectronic 50%
• Formation Rate Constant 50%
• Canonical Variational Transition State Theory 50%
• Rate Constant Prediction 50%
• Hydrogen-bonded Complexes 50%
• Long-lived 50%
• NO Formation 50%
• O Radical 50%
• RRKM Theory 50%

Chemistry

• Rate Constant 100%
• Ammonia 75%
• CCSD 50%
• formation 50%
• Ab Initio Calculation 25%
• Potential Energy Surface 25%
• Transition State 25%
• Binding Energy 25%
• Hydrogen Bonding 25%
• Methane 25%

Material Science

• Hydrogen Bonding 100%
• Surface Energy 100%
• Ab Initio Calculation 100%