Water structuring inside the cavities of cucurbit[n]urils (n = 5–8): a quantum-chemical forecast
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DOI: 10.1007/s10847-017-0751-3
Abstract: In this work we report findings of the quantum-chemical examination of water structuring in the cavities of cucurbit[n]urils (CB[n]), n = 5–8 obtained within the density functional theory. The thermodynamically most stable structures of inclusion compounds (H2O)m@CB[n]… read more here.
Keywords: quantum chemical; cavities cucurbit; water; inside cavities ... See more keywords