Theoretical study of the reaction of hydrogen with nitric acid: Ab initio MO and TST/RRKM calculations

Keyphrases

• Ab Initio MO Calculation 100%
• Nitric Acid 100%
• RRKM Calculation 100%
• Cis-HONO 66%
• Indirect Mechanism 66%
• Temperature Range 33%
• Atmospheric Pressure 33%
• Ab Initio Molecular Orbital 33%
• Theory Calculation 33%
• Molecular-statistical Theory 33%
• Molecular Orbital Theory 33%
• Arrhenius 33%
• Reaction Rate 33%
• Master Equation 33%
• Tunneling Correction 33%
• Molecular Elimination 33%
• Nitroxide 33%
• H-abstraction Reaction 33%
• Room Temperature Reaction 33%
• Competing Reactions 33%
• Constant Correction 33%

Chemistry

• Hydrogen 100%
• Rate Constant 100%
• Nitrogen Dioxide 100%
• Nitric Acid 100%
• Transition State Theory 100%
• Ambient Reaction Temperature 50%
• Molecular Orbital 50%
• Master Equation 50%

Material Science

• Nitrogen Dioxide 100%