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

Keyphrases

• 57Fe 100%
• Mssbauer 100%
• Density Functional Theory 100%
• Quadrupole Splitting 100%
• Isomer Shift 100%
• Spin-crossover Complex 100%
• Higher Spin 66%
• Spin-spin 66%
• Density Functional Calculations 33%
• Wave Function 33%
• Phen 33%
• Electronic States 33%
• Low Spin 33%
• Nitrosyl 33%
• Spin Electronics 33%
• Coordinate System 33%
• Mössbauer Spectroscopy 33%
• Six-coordinate 33%
• Bis-1 33%
• 1,10-Phenanthroline 33%
• Low-spin State 33%
• N-systems 33%
• Fe(Salen) 33%
• Thiocyanato 33%

Chemistry

• Density Functional Theory 100%
• Quadrupole Splitting 100%
• Electronic State 50%
• Wave Function 50%
• Spin State 50%
• Salen 50%
• 1,10-phenanthroline 50%