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A recent study (Sci. Adv. 2017, 3, e1602833) has shown that FH⋅⋅⋅OH2 hydrogen bond in a HF⋅H2O pair substantially shortens, and the H−F bond elongates upon encapsulation of the cluster in C70 fullerene. This has been attributed to compression of the HF⋅H2O pair inside the cavity of C70. Herein, we present theoretical evidence that the effect is not caused by a mere compression of the H2O⋅HF pair,...
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