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DFT/NMR Approach for the Configuration Assignment of Groups of Stereoisomers by the Combination and Comparison of Experimental and Predicted Sets of Data

[Image: see text] Quantum mechanical/nuclear magnetic resonance (NMR) approaches are widely used for the configuration assignment of organic compounds generally comparing one cluster of experimentally determined data (e.g., (13)C NMR chemical shifts) with those predicted for all possible theoretical...

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Библиографические подробности
Опубликовано в: :J Org Chem
Главные авторы: Lauro, Gianluigi, Das, Pronay, Riccio, Raffaele, Reddy, D. Srinivasa, Bifulco, Giuseppe
Формат: Artigo
Язык:Inglês
Опубликовано: American Chemical Society 2020
Online-ссылка:https://ncbi.nlm.nih.gov/pmc/articles/PMC7997581/
https://ncbi.nlm.nih.gov/pubmed/31961156
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.joc.9b03129
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