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. Author manuscript; available in PMC: 2010 Jun 16.
Published in final edited form as: Acc Chem Res. 2009 Jun 16;42(6):809–819. doi: 10.1021/ar8002859

Figure 3.

Figure 3

Boltzmann-weighted atomic contribution maps (BWAMs) of the optical rotation (OR) of calyculin A (A) and B (B) fragments.36 The atoms are colored according to their contributions to the OR, which highlights the large effects arising from the CN group and the two adjacent carbon atoms. The difference BWAM (C) of the calyculin A and B fragments also clearly visualizes the dominance of the CN group in optical activity.