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. Author manuscript; available in PMC: 2016 Mar 8.
Published in final edited form as: J Phys Chem A. 2015 Jan 29;119(6):966–977. doi: 10.1021/jp511831b

Table 7.

Entropy, Enthalpy, and Gibbs Free Energy of Activation for k1 and k3

parameter k1 k3
slope −4686.0 −8000.3
intercept −15.56 −3.83
ΔH‡, kJ/mol 38.96 66.51
ΔS‡, J/mol·K −129.34 −31.84
ΔG‡ at 298 K, kJ/mol 42.81 67.46