Browsing Department of Mathematics by Subject "Water molecule"
Now showing items 1-6 of 6
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Computer Modelling of a Dynamical Water Molecule
(University of Texas at ArlingtonDepartment of Mathematics, 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 ... -
Computer Simulation of a Dynamical Model of the Water Molecule
(University of Texas at ArlingtonDepartment of Mathematics, 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 ... -
Computer Studies of a Semiclassical Model of the Water Molecule
(University of Texas at ArlingtonDepartment of Mathematics, 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 ArlingtonDepartment of Mathematics, 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 ... -
A New Computer Approach to Atomic and Molecular Dynamics with Application to the Water Molecule
(University of Texas at ArlingtonDepartment of Mathematics, 1981-07)**Please note that the full text is embargoed** 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 ... -
A Semiclassical, Dynamical Model of the Water Molecule
(University of Texas at ArlingtonDepartment of Mathematics, 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 ...