Abstract
A numerical procedure is described and tested for the determination of solvent sites in a crystal hydrate from computer simulation results. The method does not require the computation of density distributions.
| Original language | English |
|---|---|
| Pages (from-to) | 523-527 |
| Number of pages | 5 |
| Journal | Journal of Computational Chemistry |
| Volume | 5 |
| Issue number | 6 |
| DOIs | |
| State | Published - Dec 1984 |
| Externally published | Yes |