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- W2003747592 abstract "A harmonically coupled non-symmetric (r1 ≠ r2) anharmonic oscillator model has been used to compute the stretching mode spectra of liquid H2O and D2O. The effect of anharmonicity, intra- and intermolecular coupling on the band shape has been investigated by using only the two stretching coordinates. Molecular interaction are described by the Lippincott-Schroeder potential function for bent hydrogen bonded systems. A quantum local mode analysis of the random molecule configurations is used to compute the eigenstates. Local mode behaviour and oscillator non-similarity produced decoupling for H2O the latter manifesting itself in the appearance of a high frequency shoulder at 4 °C and at 50 °C. In contrast the normal mode picture of D2O causes a high frequency splitting at 150 °C and 200 °C beacuse of coupling between similar oscillators." @default.
- W2003747592 created "2016-06-24" @default.
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- W2003747592 date "1989-07-01" @default.
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- W2003747592 title "A local mode analysis of the stretching mode spectra of liquid H2O and D2O in the temperature range 4 ⪢2- 200 °C" @default.
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- W2003747592 doi "https://doi.org/10.1016/0167-7322(89)80063-7" @default.
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