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MrPIXEL: automated execution of Pixel calculations via the Mercury interface
The interpretation of crystal structures in terms of intermolecular interaction energies enables phase stability and polymorphism to be rationalized in terms of quantitative thermodynamic models, while also providing insight into the origin of physical and chemical properties including solubility, c...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7401789/ https://www.ncbi.nlm.nih.gov/pubmed/32788907 http://dx.doi.org/10.1107/S1600576720008444 |