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Computer Modelling of a Dynamical Water Molecule

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Computer Modelling of a Dynamical Water Molecule

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Title: Computer Modelling of a Dynamical Water Molecule
Author: Greenspan, Donald
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.
URI: http://hdl.handle.net/10106/2493
Date: 1995

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