Time-dependent quantum mechanical calculations on the formation of molecular hydrogen on a graphite surface via an Eley-Rideal mechanism
The associative desorption of H2 (v,j) on a graphite(0001) surface via an Eley-Rideal mechanism has been studied theoretically. In our calculations we used a time-dependent wave packet method treating three degrees of freedom quantum mechanically. A newly developed potential energy surface based on...
| Main Authors: | , , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2001
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