Modeling reaction pathways of low energy particle deposition on polymer surfaces via first principle calculations

Medicine & Life Sciences

• Polystyrenes 100%
• Polymers 72%
• Density Functional Theory 70%
• Chemical Phenomena 57%
• Molecular Dynamics Simulation 45%
• Ions 33%

Chemical Compounds

• Energy Barrier 77%
• Bond Order 46%
• Energy 38%
• Surface Modification 34%
• Transition State 33%
• Molecular Dynamics 29%
• Surface 25%
• Density Functional Theory 25%
• Ion 15%

Physics & Astronomy

• particle energy 84%
• polymers 47%
• polystyrene 36%
• products 25%
• energy 23%
• methodology 16%
• density functional theory 15%
• molecular dynamics 14%
• ions 9%
• interactions 7%