Identification of Second Shell Coordination in Transition Metal Species Using Theoretical XANES: Example of Ti-O-(C, Si, Ge) Complexes

Chemical Compounds

• X-Ray Absorption Near Edge Structure 100%
• Transition Element 58%
• X Ray Absorption Near Edge Structure Spectrum 21%
• Coordination Sphere 16%
• Orbital 13%
• Density Functional Theory 10%
• Oxidation Reaction 7%

Medicine & Life Sciences

• Metals 70%
• X-Rays 62%
• Density Functional Theory 23%
• Coordination Complexes 20%

Physics & Astronomy

• transition metals 67%
• x rays 36%
• density functional theory 7%
• oxidation 7%
• orbitals 7%
• optimization 6%
• geometry 5%
• interactions 3%