Figure 7.
Pauli repulsion as a function of the ϕX−C−C−X dihedral angle of the 1,2‐difluoro and 1,2‐diiodoethanes. Computed at ZORA‐BP86‐D3(BJ)/QZ4P.
Pauli repulsion as a function of the ϕX−C−C−X dihedral angle of the 1,2‐difluoro and 1,2‐diiodoethanes. Computed at ZORA‐BP86‐D3(BJ)/QZ4P.