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- W1992326479 abstract "Ab initio techniques inclusive of electron correlation (MP2) are used to study the gas-phase dimerization of water tetramers (T) into octamers (O), which is relevant to a model for the specific heat of liquid water. The T species has one basic structure, whereas three different conformations for the O species have been investigated, the most stable having D2d symmetry. The dimerization enthalpy at 298 K is ≈ −54 kJ mol−1, which is about half the value adopted in an application of the model. Inspection of O structures shows that identity of the T species is lost if favor of strongly interacting pairs." @default.
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- W1992326479 date "1993-09-01" @default.
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- W1992326479 title "Ab initio study of the gas-phase equilibrium between (H2O)4 and (H2O)8" @default.
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- W1992326479 doi "https://doi.org/10.1016/0009-2614(93)85498-d" @default.
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