Electronic Structures and Optical Properties of Phenyl C₇₁ Butyric Acid Methyl Esters

Figure 4

Isodensity plots (isodensity contour = 0.02 a.u.) of the frontier molecular orbitals of [6,6]PC₇₁BM and [5,6]PC₇₁BM with CAM-B3LYP functional.