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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...

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Bibliografiske detaljer
Main Authors: Hooft, Rob W. W., Straver, Leo H., Spek, Anthony L.
Format: Artigo
Sprog:Inglês
Udgivet: International Union of Crystallography 2008
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC2467520/
https://ncbi.nlm.nih.gov/pubmed/19461838
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S0021889807059870
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