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. 2017 Feb 17;139(10):3697–3705. doi: 10.1021/jacs.6b11717

Figure 1.

Figure 1

All-atom structures (left) and corresponding coarse-grain models (right) for P3HT (in red; a trimer is shown), PCBM (in blue), and CB (in green). The connectivity between the coarse-grain interaction sites is highlighted, while the actual size of the beads is shown with semitransparent spheres.