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. 2017 Jul 7;2(7):3214–3227. doi: 10.1021/acsomega.7b00356

Table 11. Reaction Energies ΔE, Enthalpies ΔH, and Free Energies ΔG of the Adsorption and Decomposition Reactions of Benzene on the Ni(111) Surface, All in kcal mol–1a.

reaction pathways ΔE ΔH (523 K) ΔG (523 K)
Inline graphic –21.4 –25.1 –22.1
Inline graphic 5.3 1.8 6.8
a

* indicates an adsorbed molecule.