Topology and Dynamics of Hydrogen Bond Nets in the Water. Computer Modeling Results
Topological and dynamic characteristics of hydrogen bond nets in the water are calculated through the method of classical molecular dynamics using different model potentials. It is found out that taking into account specific molecular interactions of oxygen and hydrogen atoms leads to the increase in average number of hydrogen bonds per water molecule owing to extra stabilization of tetrahedrally coordinated molecules. It is shown that life cycle of hydrogen bonds characterizes correlation of motion of closely located molecules in coordinated spheres of central molecule.