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Table 2

Values of the ZPEs for molecules related to the isotopic exchange reactions used in our model.

Molecule ZPE ΔZPE (a) Reference
(cm−1) (K)
C2 924.13 (1)
13CC 906.1 25.9 (1)
13C2 887.8 52.3 (1)
13C 26.4 (1)

CS 640.9 (2)
13CS 622.7 26.3 (3)

C3 1705.06 (4)
13CC2 1686.44 27 (4)
C13CC 1675.54 43 (4)
13CC13C (b) 1667.74 27 (4)
13C13CC (b) 1656.70 43 (4)
13C3 (c) 1637.79 27 (4)

Notes. The related references are also given in the fourth column. (a)It is equal to ΔE used in Table 1. (b)ΔZPE is derived with respect to the second molecular species of the group. (c) ΔZPE is derived with respect to the fifth molecular species of the group.

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