Fig. 6: DFT study and IGMH analysis.
From: Enantioselective synthesis of chiral amides by carbene insertion into amide N–H bond
Lowest-energy transition structures for R and S products optimized by DFT calculations performed at the b3lyp-D3(BJ)/def2tzvpp (SMD-dichloromethane)//b3lyp-D3(BJ)/def2svp (gas) level. ρ, electron density; sign(λ2), the sign of the second eigenvalue λ2 of the electron density Hessian matrix.
