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- W2000940408 abstract "In hydrogen-bonded systems AH⋯B it is well accepted that the νAH frequency shift is correlated both to the intermolecular distance A⋯B and to the intramolecular AH bond length. Recent high pressure experiments on ice VIII have demonstrated that a large pressure red shift can be observed without noticeable lengthening of the PH intramolecular bond. This surprising result is correctly accounted for by periodic Hartree—Fock calculations. It is shown that the lowering of the proton transfer barrier is responsible for the pressure frequency shift." @default.
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- W2000940408 date "1994-09-01" @default.
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- W2000940408 title "Correlation of frequency shifts with other properties in ice: a periodic Hartree—Fock study" @default.
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- W2000940408 doi "https://doi.org/10.1016/0022-2860(94)80021-9" @default.
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