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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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Detalhes bibliográficos
Publicado no:J Org Chem
Main Authors: Lauro, Gianluigi, Das, Pronay, Riccio, Raffaele, Reddy, D. Srinivasa, Bifulco, Giuseppe
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2020
Acesso em linha: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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