The geometry of the tert-butyl group: Statistical analysis and model calculations
โ Scribed by A.M. de Vos; A.M.M. Schreurs; J. Kroon; F.B. van Duijneveldt
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 437 KB
- Volume
- 94
- Category
- Article
- ISSN
- 0022-2860
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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