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Science 26 August 1994:
Vol. 265. no. 5176, pp. 1219 - 1221
DOI: 10.1126/science.265.5176.1219
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Articles

The Spatial Structure in Liquid Water

Peter G. Kusalik 1 and Igor M. Svishchev 1

1 Department of Chemistry, Dalhousie University, Halifax, Nova Scotia, B3H 4J3, Canada

Liquid state structure has traditionally been characterized with the radial distribution functions between atoms. Although these functions are routinely available from x-ray diffraction and neutron scattering experiments or from computer simulations, they cannot be interpreted unambiguously to provide the spatial order in a molecular liquid. A direct approach to determining the spatial structure in the liquid state is demonstrated here. Three-dimensional maps representing the local atomic densities are presented for several water models. These spatial maps provide a picture of the short-range order in liquid water which reveals specific details of its local structure that are important in the understanding of its properties.

Submitted on April 20, 1994
Accepted on July 5, 1994


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