Cargando…
Deciphering the driving forces in crystal packing by analysis of electrostatic energies and contact enrichment ratios
Hirshfeld surface analysis is a widely used tool for identifying the types of intermolecular contacts that contribute most significantly to crystal packing stabilization. One useful metric for analyzing these contacts is the contact enrichment descriptor, which indicates the types of contacts that a...
| Autores principales: | , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2023
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10478513/ https://www.ncbi.nlm.nih.gov/pubmed/37449972 http://dx.doi.org/10.1107/S2052252523005675 |