## Abstract We describe the conformation and stereospecific ^1^H and ^13^C chemical shift assignments of longifolene 1 and its penultimate precursor 2 through the combined use of __ab initio__ calculations and experimental NMR techniques. The predicted stable conformation for both compounds was sim
โฆ LIBER โฆ
Erratum: Solution conformation of longifolene and its precursor by NMR and ab initio calculations
โ Scribed by Gopal Subramaniam; Sasan Karimi; David Phillips
- Publisher
- John Wiley and Sons
- Year
- 2006
- Tongue
- English
- Weight
- 82 KB
- Volume
- 45
- Category
- Article
- ISSN
- 0749-1581
- DOI
- 10.1002/mrc.1942
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โฆ Synopsis
Abstract
The original article to which this Erratum refers was published in Magnetic Resonance in Chemistry, in Volume 44 issue 12.
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The most successful computational approach to the conformational analysis of medium-sized molecules with 30-40 atoms or more is presently based on molecular mechanics and empirical force fields. Because of their empirical nature, these procedures can at times lead to rather inconclusive results. In