Modeling transition states for selective catalytic hydrogenation paths on transition metal surfaces

Engineering & Materials Science

• Transition metals 100%
• Hydrogenation 85%
• Chemical activation 60%
• Density functional theory 40%
• Hydrides 34%
• Electrons 27%
• Adsorption 26%
• Ethylene 14%
• Activation energy 14%

Chemical Compounds

• Transition State Structure 57%
• Transition State 55%
• Chemical Activation 50%
• Hydrogenation 50%
• Transition Element 49%
• Density Functional Theory 28%
• Adsorption Energy 23%
• Surface 21%
• Ethyl 16%
• Reaction Activation Energy 15%
• Adsorption 11%