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Applications of Parametrized NMR Spin Systems of Small Molecules

We have developed technology for producing accurate spectral fingerprints of small molecules through modeling of NMR spin system matrices to encapsulate their chemical shifts and scalar couplings. We describe here how libraries of these spin systems utilizing unique and reproducible atom numbering c...

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Bibliografische gegevens
Gepubliceerd in:Anal Chem
Hoofdauteurs: Dashti, Hesam, Wedell, Jonathan R., Westler, William M., Tonelli, Marco, Aceti, David, Amarasinghe, Gaya K., Markley, John L., Eghbalnia, Hamid R.
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: 2018
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Online toegang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6201686/
https://ncbi.nlm.nih.gov/pubmed/30125102
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.analchem.8b02660
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