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Calculated NMR chemical shifts of nylon 6: a comparison of the α and γ forms

✍ Scribed by J. Casanovas; C. Alemán

Book ID: 110350055
Publisher: Springer
Year: 2002
Tongue: English
Weight: 129 KB
Volume: 37
Category: Article
ISSN: 0022-2461
DOI: 10.1023/a:1016588603899

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## Abstract This work aims at using theoretical calculations of shielding tensors (σ) through different methods [gauge‐independent atomic orbital (GIAO), continuous set of gauge transformations (CSGT) and individual gauges for atoms in molecules (IGAIM)] and spin‐spin coupling constants __J__ using