Open Access
Table 1
Adsorption energy (kcalmol-1) of HCN on the boat structure surface of hexagonal water ice Ih according to the number of bilayers and the number of bilayers for which the geometry is optimized.
| Number of bilayers | Number of optimized bilayers | Eads |
|---|---|---|
| 1 | 0 | 8.5 |
| 2 | 0 | 9.3 |
| 1 | 9.0 | |
| 0 | 7.1 | |
| 3 | 1 | 9.1 |
| 2 | 9.2 |
Current usage metrics show cumulative count of Article Views (full-text article views including HTML views, PDF and ePub downloads, according to the available data) and Abstracts Views on Vision4Press platform.
Data correspond to usage on the plateform after 2015. The current usage metrics is available 48-96 hours after online publication and is updated daily on week days.
Initial download of the metrics may take a while.