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- W3010633148 abstract "High-level ab initio calculations show that the most stable stacking for benzene–cyclohexane is 17% stronger than that for benzene–benzene. However, as these systems are displaced horizontally the benzene–benzene attraction retains its strength. At a displacement of 5.0 Å, the benzene–benzene attraction is still ∼70% of its maximum strength, while benzene–cyclohexane attraction has fallen to ∼40% of its maximum strength. Alternatively, the radius of attraction (>2.0 kcal/mol) for benzene–benzene is 250% larger than that for benzene–cyclohexane. Thus, at relatively large distances aromatic rings can recognize each other, a phenomenon that helps explain their importance in protein folding and supramolecular structures." @default.
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- W3010633148 date "2020-03-02" @default.
- W3010633148 modified "2023-10-11" @default.
- W3010633148 title "What Is Special about Aromatic–Aromatic Interactions? Significant Attraction at Large Horizontal Displacement" @default.
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- W3010633148 doi "https://doi.org/10.1021/acscentsci.0c00005" @default.
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