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- W2305404269 abstract "Hydrogen bonds in two halides encapsulated by an azamacrocyclic receptor were studied in detail by the density functional theory (DFT) approaches at B3LYP/6-311++G(d,p) and M06-2X/6-311++G(d,p) levels. The atoms in molecules (AIM) theory and the electron density difference maps were applied for characterizing the hydrogen bond patterns. The results suggest that the fluoride complex has a unique binding pattern which shows a hydrogen bond augmented with ionic bond characteristics." @default.
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- W2305404269 date "2016-03-22" @default.
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- W2305404269 title "Theoretical Studies on Hydrogen Bonds in Anions Encapsulated by an Azamacrocyclic Receptor" @default.
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- W2305404269 doi "https://doi.org/10.3390/cryst6030031" @default.
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