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A New Computer-Oriented Approach to Molecular Mechanics

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A New Computer-Oriented Approach to Molecular Mechanics

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Title: A New Computer-Oriented Approach to Molecular Mechanics
Author: Greenspan, Donald
Abstract: A new dynamical theory for atomic and molecular dynamics is formulated and discussed. The associated nonlinear differential system is derived from general atomic and molecular stability properties and from aspects of modern particle theory, especially as it relates to the structure of the electron. Computer experiments are described for developing a new model of the water molecule.
URI: http://hdl.handle.net/10106/2223
Date: 1982-02

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