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. 2021 Feb 25;22(7):641–648. doi: 10.1002/cphc.202100090

Figure 7.

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.