Uranyl-peroxide nanocapsules in aqueous solution: Force field development and first applications

Engineering & Materials Science

• Nanocapsules 100%
• Peroxides 72%
• Density functional theory 27%
• Actinides 25%
• Self assembly 23%
• Uranium 21%
• Molecular dynamics 20%
• Ice 18%
• Fabrication 13%
• Computer simulation 9%
• Water 9%

Physics & Astronomy

• peroxides 70%
• field theory (physics) 55%
• aqueous solutions 50%
• uranium 18%
• ice 17%
• chemistry 15%
• perturbation theory 15%
• density functional theory 14%
• molecular dynamics 13%
• fabrication 11%
• water 10%
• interactions 7%
• simulation 6%
• energy 5%

Chemical Compounds

• Nanocapsule 66%
• Force 37%
• Aqueous Solution 28%
• Perturbation Theory 21%
• Application 17%
• Counterion 16%
• Molecular Dynamics 13%
• Density Functional Theory 11%
• Energy 8%
• Solvent 8%