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In this communication, we regard the PES of a cw experiment as the standard, based not only on the concept of the Franck-Condon factor, but also on the theoretical result of our numerical model. See the Supporting Information.
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note
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In fact, the details of the B - C admixture adopted in the model barely influence the final result, which verifies that the mixing does not account for the unexpected vibrational peaks! One can find more details about this model in the literature.
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