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- W2034343078 abstract "Eley–Rideal and hot-atom reactions between H and D atoms on a flat Cu surface are modeled quantum mechanically. A highly efficient method using the discrete Bessel transform is described and used to examine the reaction at both normal and off-normal incidence and over a range of energies, in order to simulate both direct Eley–Rideal and hot-atom encounters. A new potential energy surface, based on density functional calculation is used, and variations of this potential are considered. Both reaction cross sections and product translational and ro-vibrational distributions are computed and compared with experiment." @default.
- W2034343078 created "2016-06-24" @default.
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- W2034343078 date "1999-01-01" @default.
- W2034343078 modified "2023-10-16" @default.
- W2034343078 title "Eley–Rideal and hot-atom reactions between hydrogen atoms on metals: quantum mechanical studies" @default.
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- W2034343078 doi "https://doi.org/10.1039/a808486f" @default.
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