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Pixel calculations using Orca or GAUSSIAN for electron density automated within the Oscail package
Many discussions of the intermolecular interactions in crystal structures concentrate almost exclusively on an analysis of hydrogen bonding. A simple analysis of atom–atom distances is all that is required to detect and analyse hydrogen bonding. However, for typical small-molecule organic crystal st...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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International Union of Crystallography
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8493623/ https://www.ncbi.nlm.nih.gov/pubmed/34667454 http://dx.doi.org/10.1107/S1600576721008529 |