Formation and phase transition enthalpies for N-dymethylglycolurils

Abstract Combining quantum chemical thermochemistry and experimental data from literature, a series of thermochemical parameters (Δ_solvH^θ; Δ_cr^gH^θ; Δ_cr^lH^θ; Δ_l^gH^θ; Δ_f^gH^θ; Δ_f^lH^θ; Δ_f^crH^θ; C_v and C_p) were obtained for 2,4-dimethylglycoluril (2,4-DMGU), 2-6-dimethylglycoluril (2,6-DMGU) and 2,8-dimethylglycoluril (2,8-DMGU).

Keywords Computational thermochemistry, Formation enthalpies,  2,4-dimethylglycoluril, 2-6-dimethylglycoluril, 2,8-dimethylglycoluril.

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