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. 2020 Mar 20;25(6):1428. doi: 10.3390/molecules25061428

Figure 6.

Figure 6

Structures of PhSO2Cl (1) (Cs symmetry), reactant complex 1···Cl (RC) (Cs symmetry) and transition state [1-Cl] (TS) (C2v symmetry) optimized by B3LYP-GD3/6-311+G(2d,p) method.