Abstract

The angular—radial distribution functions for the TIP4P model of water were obtained by Monte Carlo simulations in order to analyze the structure of pure liquid water. Two main electrostatic effects determine the local structure resulting in collinear hydrogen bonds and structures in which the two hydrogen atoms of one molecule are equidistant from the oxygen atom of the neighboring molecule. The structures resulting from these two ways of interacting seem to be equally probable, there being possibly some kind of resonance between them.

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