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A Semiclassical, Dynamical Model of the Water Molecule
(University of Texas at Arlington, 1995)
**Please note that the full text is embargoed** ABSTRACT: A model of the ground state water molecule is formulated dynamically and studied by computer simulations. Excellent approximations of NMR determined bond angles and ...
Computer Experiments for Molecular Motions and Chemical Bonding
(University of Texas at Arlington, 1995-12)
**Please note that the full text is embargoed** ABSTRACT: It is shown how to simulate first the ground state molecule H. The correct bond length, period, and electron cloud result. The method is then extended to ground ...
A New Method for Approximating Quantum Dynamical Phenomena Over Short (and Sometimes Long) Time Periods
(University of Texas at Arlington, 1995)
**Please note that the full text is embargoed** ABSTRACT: Approximate electron and proton motions are simulated for short time periods for using a special case of the quantum mechanical Ehrenfest equations. Attention is ...
Computer Modelling of a Dynamical Water Molecule
(University of Texas at Arlington, 1995)
**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 ...