Article ID Journal Published Year Pages File Type
5406360 Journal of Magnetic Resonance 2011 8 Pages PDF
Abstract
► Large spin networks can be fragmented in order to fasten NMR spectra simulation. ► Clustering is achieved by removing adequate scalar coupling interactions. ► Accuracy of the spectra relies on which but not on how many couplings are removed. ► A large fraction of a test dataset was clustered successfully with this procedure.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Fast and accurate algorithm for the simulation of NMR spectra of large spin systems
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