Ab initio MO/statistical theory prediction of the OH + HONO reaction rate: Evidence for the negative temperature dependence

Keyphrases

• Ab Initio MO Calculation 100%
• Reaction Rate 100%
• Negative Temperature Dependence 100%
• Statistical Theory 100%
• Reaction Pathway 50%
• OH Radical 50%
• Ab Initio Molecular Orbital 50%
• Bimolecular Rate Constant 50%
• Canonical Variational Transition State Theory 50%
• Kinetic Data 50%
• Transition State Theory Calculations 50%
• Low Temperature Regime 50%
• Modelling Applications 50%
• Combustion Modeling 50%
• Trans-HONO 50%
• Atmosphere Modelling 50%
• Cis-HONO 50%
• Kinet 50%

Chemistry

• Rate Constant 100%
• Molecular Orbital 33%
• Nitrogen Dioxide 33%
• Reaction Path 33%
• Kinetics Type 33%
• Transition State Theory 33%

Material Science

• Nitrogen Dioxide 100%