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Table 5
Computed and experimental adsorption energies (meV) of CH3CN and CH3NC on α-quartz (0001) and H2O surfaces.
| CH3CN | CH3NC | |||
| Surface | Computed | Experimental | Computed | Experimental |
|
|
||||
| α-quartz (0001) | 460 | 460 ± 30 | 414 | 430 ± 25 |
| Apolar crystalline ice Ih | 558 | 565 ± 25 * | 545 | 540 ± 15 * |
| Compact amorphous ice | − | 530 ± 15 * | − | 490 ± 10 * |
Notes. Experimental values denoted with * should be considered with caution since the sublimation of the supporting water ice layer plays an important role in the observed desorption features.
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