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A New Computer Approach to Atomic and Molecular Dynamics with Application to the Water Molecule

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A New Computer Approach to Atomic and Molecular Dynamics with Application to the Water Molecule

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Title: A New Computer Approach to Atomic and Molecular Dynamics with Application to the Water Molecule
Author: Greenspan, Donald
Abstract: A new computer oriented theory for atomic and molecular dynamics is developed. In it are incorporated modifications of classical ideas which are motivated by modern particle theory, especially as it relates to the structure of the electron and to the existence of fractional charge. Computer results of a dynamical water molecule model, which are consistent with the bond angle and bond length vibrations of H2O, are described and discussed.
URI: http://hdl.handle.net/10106/2488
Date: 1981-07

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