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...

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Main Authors: Meijer, A, Farebrother, A, Clary, D, Fisher, A
格式: Journal article
语言:English
出版: 2001