Density functional theory calculations of defective UO₂ at U₃O₇ stoichiometry

Engineering & Materials Science

• Density functional theory 100%
• Stoichiometry 89%
• Oxidation 59%
• Atoms 34%
• Defects 34%
• Fluorspar 27%
• Oxygen 27%
• Uranium 19%
• Ions 15%

Physics & Astronomy

• stoichiometry 64%
• density functional theory 51%
• oxidation 49%
• defects 27%
• fluorite 20%
• oxygen 20%
• uranium 16%
• atoms 16%
• contraction 16%
• interstitials 14%
• cells 9%
• ions 7%

Chemistry

• Reaction Stoichiometry 54%
• Molecular Cluster 43%
• Density Functional Theory 41%
• Uranium Atom 33%
• Oxidation Reaction 30%
• Fluorite 26%
• Dioxygen 21%
• Volume 12%
• Ion 8%