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. 2014 Jun 20;12(6):3669–3680. doi: 10.3390/md12063669

Figure 3.

Experimental and calculated electronic circular dichroism (ECD) spectra of 1 a.

Figure 3

a Black solid line: ECD spectrum of 1 in MeCN solution. Purple dotted line: calculated ECD spectrum for (R)-1 with CAM-B3LYP/aug-cc-pVDZ method on DFT-optimized structure. Purple bars: rotational strength values of the lowest-energy conformer of (R)-1 optimized with CAM-B3LYP/aug-cc-pVDZ.