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Dehydrohalogenation of ethyl halide

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Figure

Table 1: Comparison of calculated and experimental standard enthalpy change ∆rHo values for two dehydrohalogenation reactions
Table 2. Structural parameters of reactants (R), transition states (TS), and products (P) for the HCl elimination reactions from calculations performed at the CBS theory level
Table 3. Calculated reaction and activation enthalpies at 298.15 K for all the reactions
Table 4. Kinetic parameters for HCl elimination between 300 K and 2000 K k=A(T)n exp(-Ea/(R·T))a
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