Density Functional Theory Driven Analysis of the Interplay among Structure, Composition, and Oxidation State of Titanium in Hibonite, Spinel, and Perovskite

Earth & Environmental Sciences

• hibonite 100%
• perovskite 73%
• spinel 60%
• titanium 59%
• oxidation 39%
• substitution 27%
• cation 18%
• analysis 16%
• oxygen 14%
• magnesium 7%
• aluminum 6%
• chemical bonding 6%
• transition element 5%
• redox conditions 4%
• meteorite 4%
• oxide 3%
• crystal 3%
• calculation 2%
• chemical 2%
• material 1%
• effect 1%

Physics & Astronomy

• spinel 59%
• perovskites 50%
• titanium 50%
• density functional theory 46%
• oxidation 44%
• substitutes 27%
• cations 18%
• oxygen 13%
• magnesium 8%
• solar nebula 6%
• aluminum 5%
• chemical effects 5%
• meteorites 5%
• examination 3%
• transition metals 3%
• oxides 2%
• crystals 2%

Chemical Compounds

• Density Functional Theory 37%
• Oxidation Reaction 27%
• Substitution Reaction 19%
• Dioxygen 10%
• Cation 10%
• Magnesium Atom 7%
• Redox Condition 6%
• Monoatomic Dication 4%
• Transition Element 3%
• Oxide 2%