Abstract
Favorable and unfavorable locations for positive and negative ions in the ice 1 h lattice are investigated by molecular dynamics methods. This is a first step in calculating the solubility of ions in ice as distinct from liquid water.
| Original language | English |
|---|---|
| Pages (from-to) | 827-830 |
| Journal | Molecular Simulation |
| Volume | 30 |
| Issue number | 13-15 |
| DOIs | |
| Publication status | Published - 2004 |
Keywords
- Theoretical and Computational Chemistry
- Statistical Mechanics in Chemistry
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