Dynamic decomposition of aliphatic molecules on Al(111) from ab initio molecular dynamics

Chemical Compounds

• Molecular Dynamics 65%
• Collision 59%
• Decomposition 57%
• Additive 39%
• Electron Localization 39%
• Simulation 37%
• Plastic Deformation 36%
• Butyric Acid 34%
• Molecular Orientation 33%
• Molecule 30%
• Surface 28%
• Velocity 24%
• Density Functional Theory 18%
• Liquid Film 14%
• Time 10%

Engineering & Materials Science

• Molecular dynamics 100%
• Molecules 86%
• Decomposition 64%
• Butyric acid 37%
• Molecular orientation 35%
• Density functional theory 33%
• Functional groups 29%
• Butenes 27%
• Alcohols 24%
• Electrons 22%
• Plastic deformation 19%

Physics & Astronomy

• decomposition 67%
• molecular dynamics 64%
• molecules 47%
• collisions 28%
• alcohols 23%
• acids 19%
• plastic deformation 19%
• fragments 18%
• density functional theory 17%
• simulation 16%
• gradients 14%
• approximation 11%
• electrons 9%
• interactions 8%