Fig. 2. Sum of all orbital contributions (all occupied NLMOs) and of only the σ_C1–C2, σ_C1–C6, and σ_C1–H contributions to the isotropic part of σ ^para term of the C1 shielding for R–benzenes (ppm). ortho (o-), meta (m-), and para (p-) is the C1 position relative to R. Shielding relative to benzene at 0 ppm.