Computer Modelling of a Dynamical Water Molecule
Abstract
**Please note that the full text is embargoed** ABSTRACT: A model of a ground state water molecule is formulated dynamically and studied by computer simulations. The enigmatic 104.5° bond angle is approximated by introducing the effects of neighboring molecules in a crystaline state. The numerical methodology used conserves the system energy at all times. Illustrative examples are described and discussed.