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Conformational analysis of the chemical shifts for molecules containing diastereotopic methylene protons

โœ Scribed by Piotr Borowski

Book ID
113726386
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
560 KB
Volume
214
Category
Article
ISSN
1090-7807

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## Abstract A model based on classical concepts is derived to describe the effect of the nitro group on proton chemical shifts. The calculated chemical shifts are then compared to __ab initio__ (GIAO) calculated chemical shifts. The accuracy of the two models is assessed using proton chemical shift