Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5389230 | Chemical Physics Letters | 2007 | 6 Pages |
Abstract
The associative desorption of N2 from Ru(0Â 0Â 0Â 1) was studied using a six-dimensional classical trajectory method. The frozen surface and Born-Oppenheimer approximations were used. Our results show, in disagreement with experiment, high vibrational excitation of the desorbed molecules, suggesting the importance of non-adiabatic effects for this process.
Related Topics
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Physical and Theoretical Chemistry
Authors
C. DÃaz, A. Perrier, G.J. Kroes,