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P. G. Kusalik and I. M. Svishchev, The spatial structure in liquid water, Science, 265 (1994) 1219-1221.

The spatial structure in liquid water.

Kusalik PGSvishchev IM.


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.

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