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Finding the direct energy-structure correlations in intramolecular aromaticity assisted hydrogen bonding (AAHB)

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A predictive model for intramolecular hydrogen bond energy (EHB) calculation of polyaromatic ortho-hydroxyaldehydes based on a set of small, functionalized hydrocarbons is developed. The complete data set of 18 compounds was used for this study. The model is b... ...