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. 2015 Feb 1;4(3):308–317. doi: 10.1002/open.201402123

Table 9.

Computational calculated parameters for a Type V reaction: Diels–Alder cycloaddition (Scheme 10).

Solvent μ [D] (most polar species) Δμ[a] [D] Ea [kcal mol−1] ΔH[b] [kcal mol−1]
H2O or trifluoroethanol 19.9 (Reactant 24) −7.1 41.8 −4.5

[a] Δμ=μ TS−μ reactants; [b] ΔHHproducts−ΔHreactants.