Abstract
The different techniques used in the computer simulation of molecular liquids are revised, with the aim of presenting the potentiality of the method. We have focus our attention to the molecular dynamics method, which allows the investigation of dynamical processes. The limitations of the method are also discussed. As an illuminating example of the results obtainable by computer simulation, we have then reviewed the dynamical properties of liquid water. Density-density correlation functions which are directly accessible by neutron scattering experiments are introduced, and the predictions of a recently proposed theoretical analysis are compared with both computer simulation and experimental data.
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© 1992 Springer Science+Business Media Dordrecht
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Vallauri, R. (1992). Dynamical Properties of Simple Molecular Liquids. In: Teixeira-Dias, J.J.C. (eds) Molecular Liquids: New Perspectives in Physics and Chemistry. NATO ASI Series, vol 379. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-2832-2_8
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DOI: https://doi.org/10.1007/978-94-011-2832-2_8
Publisher Name: Springer, Dordrecht
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