A computational study of the OH(OD) + CO reactions: Effects of pressure, temperature, and quantum-mechanical tunneling on product formation

Keyphrases

• Computational Study 100%
• Product Formation 100%
• Pressure Effect 100%
• Pressure-temperature 100%
• Reaction Effect 100%
• Quantum Tunneling 100%
• Low Temperature 33%
• Multi-channel 33%
• Barrier Height 33%
• Potential Energy Surface 33%
• Transition State 33%
• Isotope Effect 33%
• RRKM Calculation 33%
• Non-Arrhenius Behavior 33%
• G2 Method 33%
• Arrhenius Plot 33%
• Bimolecular Rate Constant 33%
• Tunneling Effect 33%
• Absolute Value 33%
• Van Der Waals 33%
• Vibrational Partition Function 33%
• Precursor Complex 33%
• Computational Techniques 33%
• Weakly Bound 33%
• Leveling-off 33%

Engineering

• Tunnel Construction 100%
• Product Formation 100%
• Mols 75%
• Rate Constant 75%
• Low-Temperature 25%
• Barrier Height 25%
• Potential Energy 25%
• Multichannel 25%
• Energy Surface 25%
• Arrhenius 25%
• Predicted Value 25%
• Absolute Value 25%
• Arrhenius Plot 25%
• Computational Technique 25%
• Partition Function 25%

Chemistry

• formation 100%
• Rate Constant 75%
• Carbon Dioxide 75%
• Potential Energy Surface 25%
• Transition State 25%
• Arrhenius Plot 25%
• Partition Function 25%
• Isotope Effect 25%
• Partition Coefficient 25%