Dynamics of the hydrogen bond network in liquid water

The dynamics of the hydrogen bonded network in liquid water is studied by means of molecular dynamics simulations for the SPC/E water model at different thermodynamic conditions. The n-folded hydrogen bond coordination of single molecules and the life time of such configurations is studied by correlation functions. A special focus is put on the dynamics of associated trimers. A velocity projection technique is applied to study the trimer dynamics and to interpret the corresponding velocity-autocorrelation function of single molecules. (C) 2002 Elsevier Science B.V. All rights reserved.