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- W2897215645 abstract "Abstract The mono deuterium equilibrium isotope effect (EIE) for the exchange of hydroxyl deuterons and protons on 2-hydroxyl and 4-hydroxyl of 2, 4-dihydroxybenzaldehyade were calculated theoretically and also measured with NMR. The equilibrium constant (Keq = 1.108) was predicted using the geometry and vibrational force constants derived from electronic structure theory followed by the program THERMISTP, which is highly consistent with the NMR results (experimental Keq = 1.081 and Keq = 1.066), indicating the formation of the strong hydrogen bond between 2-hydroxyl and the aldehyde group." @default.
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- W2897215645 date "2018-12-01" @default.
- W2897215645 modified "2023-10-16" @default.
- W2897215645 title "An equilibrium isotope effect due to a strong hydrogen bond" @default.
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- W2897215645 doi "https://doi.org/10.1016/j.cplett.2018.10.023" @default.
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