Quantification of molecular aromaticity as a predictive factor of astrophysical significance

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Fig. 1

Optimized cyclic molecules (at the B3LYP/aug-cc-pVTZ level) considered in this work. Spheres in gray, light gray, blue, and red represent C, H, N, and O, respectively. The molecules flagged with (*) are forced to be planar, but are actually transition states on their potential energy surface.

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