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• W2084154027 abstract "We report the nuclear density distribution of partially deuterated aspirin, ${mathrm{C}}_{8}{mathrm{H}}_{5}{mathrm{O}}_{4}ensuremath{-}{mathrm{CH}}_{2}mathrm{D}$, at 300 and 15 K, as determined by neutron diffraction coupled with maximum entropy method image reconstruction. While fully protonated and fully deuterated methyl groups in aspirin are delocalized at low temperatures due to quantum mechanical tunneling, we provide here direct evidence that in aspirin- ${mathrm{CH}}_{2}mathrm{D}$ at 15 K the methyl hydrogens are localized, while randomly distributed over three sites at 300 K. This is the first observation by diffraction methods of low-temperature isotopic ordering in condensed matter." @default.
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• W2084154027 date "1999-08-02" @default.
• W2084154027 modified "2023-09-26" @default.
• W2084154027 title "Isotope Induced Proton Ordering in Partially Deuterated Aspirin" @default.
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• W2084154027 doi "https://doi.org/10.1103/physrevlett.83.975" @default.
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