⁵⁷Fe Mössbauer quadrupole splittings and isomer shifts in spin-crossover complexes: A density functional theory investigation

Chemical Compounds

• Quadrupole Splitting 100%
• Wave Function 91%
• 1,10-phenanthroline 75%
• Electron Spin 65%
• Electronic State 57%
• Spectroscopy 50%
• Density Functional Theory 48%

Physics & Astronomy

• isomers 77%
• crossovers 70%
• quadrupoles 65%
• density functional theory 60%
• shift 47%
• nitrosyls 21%
• iron 18%
• wave functions 10%
• spectroscopy 6%
• electronics 6%