Computing stoichiometric molecular composition from crystal structures
Crystallographic investigations deliver high-accuracy information about positions of atoms in crystal unit cells. For chemists, however, the structure of a molecule is most often of interest. The structure must thus be reconstructed from crystallographic files using symmetry information and chemical...
| Veröffentlicht in: | Journal of applied crystallography. - 1998. - 48(2015), Pt 1 vom: 01. Feb., Seite 85-91 |
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| Weitere Verfasser: | , , |
| Format: | Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2015
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| Zugriff auf das übergeordnete Werk: | Journal of applied crystallography |
| Schlagworte: | Journal Article molecular structure multimolecular ensembles |