The simulation of 13C nuclear magnetic resonance spectra of dibenzofurans using multiple linear regression analysis and neural networks
β Scribed by Deborah L. Clouser; Peter C. Jurs
- Book ID
- 107710308
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 677 KB
- Volume
- 321
- Category
- Article
- ISSN
- 0003-2670
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
The 13C NMR spectra of tetrahydropyrans are simulated directly from their molecular structures. A set of 29 tetrahydropyrans is used as a training set to generate regression equations and to train neural networks, and three additional compounds are used as a cross-validation set. The results of simu
## Abstract The ^1^H and ^13^C NMR spectra of 1,2βdibromoethaneβ^13^C~2~ have been analyzed to determine the magnitude (38Β·9 Hz) and sign (positive) of ^1^__J__(Cο£ΏC) relative to those of ^3^__J__(Hο£ΏH) (positive). This type of coupling appears to be rather insensitive to the presence of bromine or m