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Quantum Mechanical Calculations of NMR J Coupling Values in the Determination of Relative Configuration in Organic Compounds

✍ Scribed by Bifulco, Giuseppe; Bassarello, Carla; Riccio, Raffaele; Gomez-Paloma, Luigi

Book ID
120049997
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
95 KB
Volume
6
Category
Article
ISSN
1523-7060

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✍ Carla Bassarello; Angela Zampella; Maria Chiara Monti; Luigi Gomez-Paloma; Maria πŸ“‚ Article πŸ“… 2006 πŸ› John Wiley and Sons 🌐 English βš– 120 KB πŸ‘ 1 views

## Abstract An integrated NMR‐quantum mechanical (QM) approach, relying on the comparison between calculated and experimental __J__‐values, was applied to the analysis of the relative configuration of four amino acid units (known as AGDHE, D‐__a__Thr1, D‐__a__Thr2 and β‐OMeTyr) contained in callipe