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. 2018 May 29;9(24):5435–5440. doi: 10.1039/c8sc02072h

Fig. 6. (a) Comparison of the Gibbs energies of the regioisomeric transition states for oxidative addition of C–H bonds of toluene to Int-1. (b) QTAIM plot of TSortho (selected atoms only) showing the presence of weak non-covalent interactions. (c) NCI plot of TSortho.

Fig. 6