Figure 2: Computed rotation barriers of several styrenes and their corresponding half-life.
From: Organocatalytic atroposelective synthesis of axially chiral styrenes
The above computed rotation barriers along the axial C-CAr bond and their corresponding t1/2 (25 °C) were estimated by SMD M06-D3/6-31+G*//M06-D3/6-31G* method. (See the computational details and Supplementary Figs 1–4).
