A quasiclassical trajectory study of H + CO₂ → OH + CO: Bulk reaction dynamics and the effect of van der Waals precursor formation

Keyphrases

• Reaction Dynamics 100%
• Van Der Waals 100%
• Precursor Formation 100%
• Quasi-classical Trajectory 100%
• Product Distribution 66%
• Co-products 66%
• Ab Initio Calculations 33%
• Heavy Atoms 33%
• Photoinduced 33%
• Bimolecular 33%
• Degrees of Freedom 33%
• Major Components 33%
• Overall Energy 33%
• Energy Available 33%
• Potential Surface 33%
• Effective Threshold 33%
• Collision Energy 33%
• Trajectory Calculation 33%
• Energy Dependence 33%
• Reaction Probability 33%
• Energy Distribution 33%
• H Atoms 33%
• Pair Potential 33%
• Rotational Temperature 33%
• T-shaped 33%
• Angular Region 33%

Chemistry

• Reaction Dynamics 100%
• formation 100%
• Carbon Dioxide 100%
• Product Distribution 66%
• Surface Potential 33%
• Ab Initio Calculation 33%
• Pair Potential 33%

Material Science

• Carbon Dioxide 100%
• Ab Initio Calculation 33%
• Surface (Surface Science) 33%