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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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Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Cyhoeddwyd yn:Anal Chem
Prif Awduron: Dashti, Hesam, Wedell, Jonathan R., Westler, William M., Tonelli, Marco, Aceti, David, Amarasinghe, Gaya K., Markley, John L., Eghbalnia, Hamid R.
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: 2018
Pynciau:
Mynediad Ar-lein: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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