Five Regioisomers of Dimethyl Dodecahedrane Derivatives: A Hybrid DFT B3LYP Study

<div>Trends in relative energies (unit: kJ/mol) for five isomers computed as single-point calculations at all different levels of DFT/6-31G(d, p)//B3LYP/6-31G(d, p) and MP2/def2-TZVPP//B3LYP/6-31G(d, p).</div>

Journal of Chemistry

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Figure 3: Five Regioisomers of Dimethyl Dodecahedrane Derivatives: A Hybrid DFT B3LYP Study 