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. 2022 Feb 3;2(2):502–514. doi: 10.1021/jacsau.1c00544

Table 2. Forward and Backward Phenomenological Barriers (kJ·mol–1) for the Para Protonation of Ethylbenzene in the Presence of Various Amounts of Water in the Unit Cell.

  no. of water/unit cell
  0 H2O 1 H2O 3 H2O 6 H2O
ΔFf 76 ± 2 62 ± 3 68 ± 2 72 ± 2
ΔFb 18 ± 2 18 ± 3 11 ± 2 14 ± 2