Dissociative Chemisorption of O₂ on Al(111): Dynamics on a Correlated Wave-Function-Based Potential Energy Surface

Engineering & Materials Science

• Potential energy surfaces 100%
• Chemisorption 91%
• Wave functions 83%
• Chemical activation 35%
• Density functional theory 29%
• Static analysis 20%
• Molecules 19%
• Trajectories 13%
• Metals 12%
• Computer simulation 10%

Chemical Compounds

• Dissociative Chemisorption 86%
• Wave Function 70%
• Potential Energy Surface 57%
• Translational Energy 27%
• Spin Transition 26%
• Reaction Path 21%
• Steric Effect 19%
• Dissociation 14%
• Surface 12%
• Simulation 12%
• Density Functional Theory 12%
• Metal 9%
• Reaction Yield 8%
• Molecule 6%

Physics & Astronomy

• chemisorption 65%
• potential energy 51%
• wave functions 46%
• activation 23%
• metal surfaces 14%
• dissociation 12%
• prototypes 11%
• trajectories 11%
• density functional theory 11%
• molecules 8%
• interactions 5%
• simulation 5%
• energy 4%