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By means of quantum-chemical calculations (DFT B3LYP, CC-pVDZ basis set) the previously proposed structure and interaction energy of the components of H-associates of meso-tetraphenylporphyrin and its analogues (comp. I–III) with N,N-dimethylformamide (DMF) of the 1:1 composition is confirmed theoretically for the first time. In the ability to form H-associates involving NH bonds of intramolecular...
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