Cargando…
Real Space Refinement of Crystal Structures with Canonical Distributions of Electrons
Recurring groups of atoms in molecules are surrounded by specific canonical distributions of electrons. Deviations from these distributions reveal unrealistic molecular geometries. Here, we show how canonical electron densities can be combined with classical electron densities derived from X-ray dif...
| Autores principales: | , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Cell Press
2011
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3234344/ https://www.ncbi.nlm.nih.gov/pubmed/22153496 http://dx.doi.org/10.1016/j.str.2011.10.011 |