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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...
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| Publicado no: | J Appl Crystallogr |
|---|---|
| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
International Union of Crystallography
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4453171/ https://ncbi.nlm.nih.gov/pubmed/26089747 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S1600576714025904 |
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