Figure 2.

Frontier molecular orbitals of the PMes3/BCF encounter complex, calculated at the ωB97X‐D/6‐311G(d,p) level of theory. Isovalue=0.05.

Frontier molecular orbitals of the PMes3/BCF encounter complex, calculated at the ωB97X‐D/6‐311G(d,p) level of theory. Isovalue=0.05.