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. 2020 Apr 21;26(5):107. doi: 10.1007/s00894-020-04355-y

Fig. 4.

Fig. 4

Comparison between the nuclear ensemble spectrum simulation (solid black) and the vertical excitations (sticks) for (top) cyclopropene, (middle) pyridine, and (bottom) pyrimidine. The fitting of the nuclear ensemble result is shown as a dashed red curve. The Gaussian function components of the fitting, corresponding to the sub-bands of each vertical excitation, are shown as well