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Thermodynamic Properties Of Chlorocarbons And Kinetic Analysis For A- And B -Addition Of Oh+C2h3cl, Li Zhu

Theses

Thermodynamic properties, ΔHf°₂₉₈, S°₂₉₈ and Cp(T) 300≤T/K≤1500, for C₁, C₂ chlorocarbons are calculated by AM1 and PM3 in MOPAC6, then compared with the literature data. AM1- and PM3-derived S°298 and Cp(T) (300≤T/K≤1500) are found to be consistent with the literature (Rd ≤ ± 5%). ΔHf°₂₉₈ of CH₂Cl₂, CH₂ClCH₂Cl, CH₂ClCHCl₂, CHCl₂CHCl₂, and C₂Cl₄ and C₂Cl₂ calculated by PM3 as well as ΔHf°₂₉₈ of CCl₄, C₂HCl₃, …