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. 2017 Oct 17;139(44):15596–15599. doi: 10.1021/jacs.7b09081

Figure 4.

Figure 4

Comparison of the experimental and DFT-computed long-lasting IR spectral component of 1 (a) and 2 (b) in chloroform. The conversion of AA′ (blue) and AA′′ (hula-twist, red) are depicted.