Theoretical rate constants for the NH₃ + NO_x → NH₂ + HNO_x (x = 1, 2) reactions by ab initio MO/VTST calculations

Keyphrases

• Theoretical Rate Constants 100%
• Ab Initio MO Calculation 100%
• Temperature Range 50%
• Least Squares 50%
• Potential Energy Surface 50%
• Ammonia 50%
• Two-level 50%
• Ab Initio Molecular Orbital 50%
• Reverse Reaction 50%
• Intermediate Complex 50%
• Hydrogen Atom 50%
• Heat of Reaction 50%
• Apparent Activation Energy 50%
• Three-channel 50%
• Trans-HONO 50%
• Cis-HONO 50%
• Nitrous Acid 50%

Chemistry

• Ammonia 100%
• Rate Constant 100%
• Gaussian Distribution 75%
• Reaction Activation Energy 25%
• Potential Energy Surface 25%
• Molecular Orbital 25%
• Nitrogen Dioxide 25%
• Hydrogen Atom 25%
• Heat of Reaction 25%
• formation 25%