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Summary.Eight planar rotamers of the enol form of malonaldehyde were considered at the HF (Hartree-Fock) and DFT (density functional theory) levels with 6-311G** and D95** (Dunning/Huzinaga full double-) basis sets with the aim to establish the most stable of them and to find the energy barriers of their conversions. The results show that the rotamer with an intramolecular hydrogen bond is the most...
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