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Hydrocarbon cages are key reference materials for the validation and parameterization of computationally cost‐effective procedures such as density functional theory (DFT), semiempirical molecular orbital theory, and molecular mechanics. We obtain accurate total atomization energies (TAEs) and heats of formation (ΔfH°298) for platonic and prismatic hydrocarbon cages by means of the Wn‐F12 explicitly...
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