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Now showing items 1-9 of 9
Computer Studies of a Semiclassical Model of the Water Molecule
(University of Texas at Arlington, 1993)
**Please note that the full text is embargoed** ABSTRACT: A semiclassical model of the water molecule is formulated in
ground state as an eleven-body problem. The stiff system of
dynamical, nonlinear, ordinary differential ...
A Semiclassical, Dynamical Model of Methane
(University of Texas at Arlington, 1993)
**Please note that the full text is embargoed** ABSTRACT: In this paper we present a semiclassical, dynamical model of the ground state methane molecule. The resulting 13-body problem is solved numerically using energy ...
On the Error in Quasi-Quantum Mechanical Calculations
(University of Texas at Arlington, 1990-06)
**Please note that the full text is embargoed** ABSTRACT: A numerical simulation of the vibration of a ground state H2
molecule is made from a quasi-quantum mechanical point of view,
that is, energy has been determined ...
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 ...
Dynamical Simulation of the Simplest Hydrides
(University of Texas at Arlington, 1996)
**Please note that the full text is embargoed** ABSTRACT: In agreement with recent results of Gell-Mann and Hartle, we approximate electron motions in ground state Li7H1 and Li7H2 using an energy conserving numerical method ...
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 ...
A New Model of the Molecular Bond
(University of Texas at Arlington, 1991)
**Please note that the full text is embargoed** ABSTRACT: It is assumed, on the basis of recent supercomputer calculations, that electrons attract, rather than repel. The consequences are explored by means of three
dimensional, ...
Accurate Quasi-Quantum Mechanical Numerical Methodology
(University of Texas at Arlington, 1990-10)
**Please note that the full text is embargoed** ABSTRACT: A quasi-quantum mechanical method in which energy is determined
by quantum mechanics and motion by Newtonian mechanics is
studied by combining it with numerical ...