Hirshfeld atom refinement
Hirshfeld atom refinement (HAR) is a method which determines structural parameters from single-crystal X-ray diffraction data by using an aspherical atom partitioning of tailor-made ab initio quantum mechanical molecular electron densities without any further approximation. Here the original HAR met...
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| Hauptverfasser: | , , , , |
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| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
International Union of Crystallography
2014-09-01
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| Schriftenreihe: | IUCrJ |
| Schlagworte: | |
| Online-Zugang: | http://scripts.iucr.org/cgi-bin/paper?S2052252514014845 |
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