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March 1, 1985Physical review. B, Condensed matter801 citations

Molecular-dynamics study of atomic motions in water

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KTKahled ToukanARAneesur Rahman

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Abstract

Using a flexible version of a rigid-molecule model of water we have analyzed the velocity autocorrelation functions to investigate the effect of the liquid milieu on the high-frequency internal modes of molecular motion. The calculations have been made at 1 g cm^-3 and at 250, 325, and 375 K. Good agreement with experimentally determined pair correlations has also been found.

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Toukan et al. (1985) studied this question.

synapsesocial.com/papers/6a15d926665e751854d11b2ehttps://doi.org/10.1103/physrevb.31.2643
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