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Hydrogen Bond Networks pp 131–138Cite as

Incoherent Inelastic Neutron Scattering from Liquid Water: A Computer Simulation Study

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Part of the book series: NATO ASI Series ((ASIC,volume 435))

Abstract

A computer simulation study is presented to examine the incoherent inelastic neutron scattering from liquid water. The vibrational degrees of freedom are treated quantum-mechanically whereas the rotational-translational degrees of freedom are studied by classical molecular dynamics simulation. The results are in a good agreement with the experiments. The limitations of a purely classical description are discussed.

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References

  1. Chen S.H., Toukan K., Loong C.K., Price D.L. and Teixeira J. (1984) ‘Hydrogen-bond Spectroscopy of Water by Neutron Scattering’, Phys. Rev. Lett. 53, 1360.

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  4. Toukan K. and Rahman A. (1985) ‘Molecular-dynamics Study of Atomic Motions in Water’, Phys. Rev. B 31, 2643.

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  5. Tarjus G, Diraison M., Leicknam J-Cl. and Bratos S. (1993) ‘Inelastic Neutron Scattering from Liquid Water.: Theory and Simulation’, J. Mol. Structure 296, 199.

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  8. Wilson E.B., Decius J.C. and Cross P.C. (1955) ‘Molecular Vibrations’, Mac Graw-Hill, New York.

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Author information

Authors and Affiliations

  1. Laboratoire de Physique Théorique des Liquide, Université Pierre et Marie Curie, Case courrier 121, 4 Place Jussieu, 75252, Paris Cedex 05, France

    J-Cl. Leicknam, M. Diraison, G. Tarjus & S. Bratos

Authors
  1. J-Cl. Leicknam
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  2. M. Diraison
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  3. G. Tarjus
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  4. S. Bratos
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Editor information

Editors and Affiliations

  1. Laboratoire Léon Brillouin (CEA/CNRS), C.E. Saclay, Gif-sur-Yvette, France

    Marie-Claire Bellissent-Funel

  2. Physics Laboratory, University of Kent at Canterbury, Canterbury, UK

    John C. Dore

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© 1994 Springer Science+Business Media Dordrecht

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Leicknam, JC., Diraison, M., Tarjus, G., Bratos, S. (1994). Incoherent Inelastic Neutron Scattering from Liquid Water: A Computer Simulation Study. In: Bellissent-Funel, MC., Dore, J.C. (eds) Hydrogen Bond Networks. NATO ASI Series, vol 435. Springer, Dordrecht. https://doi.org/10.1007/978-94-015-8332-9_14

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  • DOI: https://doi.org/10.1007/978-94-015-8332-9_14

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-90-481-4412-9

  • Online ISBN: 978-94-015-8332-9

  • eBook Packages: Springer Book Archive

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