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Determination of absolute structure using Bayesian statistics on Bijvoet differences
A new probabilistic approach is introduced for the determination of the absolute structure of a compound which is known to be enantiopure based on Bijvoet-pair intensity differences. The new method provides relative probabilities for different models of the chiral composition of the structure. The o...
Autores principales: | Hooft, Rob W. W., Straver, Leo H., Spek, Anthony L. |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2008
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2467520/ https://www.ncbi.nlm.nih.gov/pubmed/19461838 http://dx.doi.org/10.1107/S0021889807059870 |
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