Density functional calculations to study the mechanism of the Fischer-Tropsch reaction on Fe(111) and W(111) surfaces

Chemical Compounds

• Coupling Reaction 20%
• Density Functional Theory 6%
• Density of State 11%
• Dissociation 8%
• Fischer-Tropsch Reaction 93%
• Fischer-Tropsch Synthesis 13%
• Hydrogenation 8%
• Surface 21%

Engineering & Materials Science

• Adsorbates 16%
• Chemical activation 9%
• Density functional theory 100%
• Fischer-Tropsch synthesis 16%
• Hydrogenation 14%

Physics & Astronomy

• activation 8%
• cleavage 11%
• density functional theory 8%
• dissociation 9%
• hydrogenation 12%
• interactions 4%
• methylidyne 66%
• synthesis 8%