Unravelling the hydration structure of ThX₄ (X = Br, Cl) water solutions by molecular dynamics simulations and X-ray absorption spectroscopy

Chemical Compounds

• Extended X-Ray Absorption Fine Structure 60%
• X-Ray Scattering 57%
• X Ray Absorption Spectroscopy 53%
• Counterion 45%
• Solvation 43%
• Molecular Dynamics 37%
• Simulation 32%
• Density Functional Theory 31%
• Anion 29%
• Purity 25%
• Molecule 17%

Engineering & Materials Science

• X ray absorption spectroscopy 100%
• Molecular dynamics 56%
• Hydration 54%
• Computer simulation 27%
• Water 27%
• Salts 23%
• X ray absorption 22%
• Solvation 20%
• X ray scattering 19%
• Density functional theory 18%
• Negative ions 17%
• Molecules 12%
• Liquids 8%
• Experiments 4%

Physics & Astronomy

• hydration 53%
• absorption spectroscopy 46%
• molecular dynamics 36%
• water 28%
• x rays 22%
• salts 22%
• simulation 19%
• coordination number 14%
• solvation 13%
• anions 11%
• fine structure 10%
• density functional theory 9%
• molecules 6%
• liquids 6%
• scattering 6%
• energy 3%