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Cooperative effects in simulated water

Nature volume 282, pages 459–464 (1979)Cite this article

Abstract

Computer simulation calculations on liquid water, aqueous solutions and biological interfaces have been made almost universally assuming pair-additive interactions. Experimental and theoretical evidence implies this is a serious oversimplification. The development and testing of a different approach is reviewed in which many-body forces are specifically taken into account through molecular polarisation. Solution and interfacial properties of aqueous systems are particularly sensitive to such forces.

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Authors and Affiliations

  1. Department of Crystallography, Birkbeck College, University of London, Malet Street, London, WC1, UK

    P. Barnes, J. L. Finney, J. D. Nicholas & J. E. Quinn

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  1. P. Barnes
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  2. J. L. Finney
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  3. J. D. Nicholas
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  4. J. E. Quinn
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Barnes, P., Finney, J., Nicholas, J. et al. Cooperative effects in simulated water. Nature 282, 459–464 (1979). https://doi.org/10.1038/282459a0

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