Cargando…
The enrichment ratio of atomic contacts in crystals, an indicator derived from the Hirshfeld surface analysis
The partitioning of space with Hirshfeld surfaces enables the analysis of fingerprint molecular interactions in crystalline environments. This study uses the decomposition of the crystal contact surface between pairs of interacting chemical species to derive an enrichment ratio. This quantity enable...
| Autores principales: | , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2014
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4062089/ https://www.ncbi.nlm.nih.gov/pubmed/25075328 http://dx.doi.org/10.1107/S2052252514003327 |