New model pair potential for water. Effect of inclusion of specific O⋯H interactions on the topology and dynamics of the hydrogen-bond network

Classical molecular dynamics was used to calculate the topologic and dynamic characteristics of H-bond networks in water, using various model potentials. The explicit inclusion of intermolecular interactions of oxygen and hydrogen atoms leads to a model involving additional stabilization of tetrahedrally coordinated molecules and, as a consequence, increased number of such molecules in the system. The H-bond lifetimes point to a strongly correlated molecular motion in the immediate environment.