Skip to main content
. 2010 Dec 29;2(2):107–112. doi: 10.1021/ml100306h

Figure 2.

Figure 2

Rotational energy profile of fragments A (blue), B (black), and C (red) corresponding to 5c, 5d, and 6, respectively (B3LYP/6-31G* with Polarizable Continuum Model to simulate aqueous media). Minimization of fragment A at a 0° NCCC dihedral was not possible.