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Now showing items 1-10 of 11
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 ...
Computer Study of a Semiclassical Model of the Dynamical Water Molecule
(University of Texas at Arlington, 1993-03)
**Please note that the full text is embargoed** ABSTRACT: A semiclassical model of the water molecule is formulated as an
eleven-body problem. The stiff system of differential equations
is run for two billion time steps ...
Electron Attraction as a Mechanism for the Chemical Bond of Ground State H2
(University of Texas at Arlington, 1993)
**Please note that the full text is embargoed** ABSTRACT: Previously, electron attraction, incorporated into classical models of the chemical bond, yielded correct bond lengths and vibrational frequencies for all the ...
Molecular Study of Turbulence in Three Dimensional Cavity Flow
(University of Texas at Arlington, 2000-04)
**Please note that the full text is embargoed** ABSTRACT: Three dimensional molecular cavity problems are formulated and solved numerically. The fluid considered is water at 15°C. The turbulent flows generated are characterized ...
Computer Simulation of a Dynamical Model of the Water Molecule
(University of Texas at Arlington, 1982-07)
**Please note that the full text is embargoed** ABSTRACT: A new computer-orlented theory for molecular dynamics is applied
to modeling the water molecule. The dynamical equations are
derived from molecular stability ...
A New Approach to Computer Oriented, Quasi-Quantum Mechanical Dynamics
(University of Texas at Arlington, 1979-06)
**Please note that the full text is embargoed** ABSTRACT: A new approach to atomic and molecular dynamics is developed which combines both quantum and classical concepts. Applications are made to the hydrogen
atom, the ...
Supercomputer Simulation of Liquid Drop Formation on a Solid Surface
(University of Texas at Arlington, 1990-02)
**Please note that the full text is embargoed** ABSTRACT: Using a molecular dynamics type approach, we show how to simulate the formation of a liquid drop on a solid surface. Application is made to the case in which the ...
Supercomputer Simulation of Cracks and Fractures by Quasimolecular Dynamics
(University of Texas at Arlington, 1989)
**Please note that the full text is embargoed** ABSTRACT: The gross physical behavior of solids and liquids is the result of atomic or molecular reactions to external forces. Using molecular dynamics, we can study such ...
Local Atomic Temperature
(University of Texas at Arlington, 1989-10)
**Please note that the full text is embargoed** ABSTRACT: For the study of phase-transition by molecular dynamics, the concept of local temperature is desirable. Such a concept is defined and studied in this paper. From ...
A New Computer Approach to Atomic Electron Configuartions with Application to the Elements from Helium Through Oxygen
(University of Texas at Arlington, 1979-10)
**Please note that the full text is embargoed** ABSTRACT: In this paper a new, computer approach is developed for atomic and molecular dynamics. Though classical in nature, it includes all electron-electron
interactions. ...