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The Spatial Structure in Liquid Water
Peter G. Kusalik and Igor M. Svishchev
New Series, Vol. 265, No. 5176 (Aug. 26, 1994), pp. 1219-1221
Published by: American Association for the Advancement of Science
Stable URL: http://www.jstor.org/stable/2884878
Page Count: 3
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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.
Science © 1994 American Association for the Advancement of Science