Computational Study of Chemical Reaction Dynamics at the Gas-Solid Interface.
BATTELLE COLUMBUS LABS OHIO
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Using computer simulations an investigation was carried out describing the conditions under which a heterogeneously catalyzed reaction will enhance the deposit of energy into laser-active modes. The model describes the internal vibration-rotation states of diatomic molecules as they are formed and adsorbed from the surface. In addition an attempt is made to understand the particular features in the potential which lead to particular internal states. Author
- Atomic and Molecular Physics and Spectroscopy