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Diimine Catalysts
Effect of Spin state
Computational Protocol
Computational Tricks
Quintet: π vs σ States
X-Ray Scatter 1
X-Ray Scatter 2
X-Ray Scatter 3
The Fe environment
Fe + alkene
Quartet vs Sextet: Prediction
Quartet vs Sextet: Verified?
Carbo/halo equilibrium
Substituents: buttressing
2,3 subs: Carbo vs Halo
2,3 subs: Quartet vs Sextet
2,3 subs: MOs
Conclusions