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

Figure 4.

Figure 4

EDA of the interaction between two open‐shell CH2X. fragments in 1,2‐difluoro and 1,2‐diiodoethanes as a function of the C−C separation, computed at ZORA‐BP86‐D3(BJ)/QZ4P. Vertical dashed lines denote the equilibrium bond distances of the syn and gauche conformations.