Ab initio studies of ClO _x reactions. 3. Kinetics and mechanism for the OH + OClO reaction

Keyphrases

• Ab Initio Study 100%
• Singlet 100%
• Hypochlorous Acid 100%
• High Pressure 50%
• Low Pressure 50%
• Temperature Range 50%
• Potential Energy Surface 50%
• Pressure Dependence 50%
• B3LYP 50%
• Triplet 50%
• Ab Initio Molecular Orbital 50%
• Theory Calculation 50%
• Molecular Orbital Theory 50%
• Pressure Limit 50%
• Product Channel 50%
• RRKM Theory 50%
• Stationary Point 50%
• Geometric Parameters 50%
• Variational RRKM 50%
• B3LYP Level 50%

Chemistry

• Rate Constant 100%
• DFT-B3LYP Calculation 40%
• Ab Initio Calculation 20%
• Potential Energy Surface 20%
• formation 20%