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
✦ LIBER ✦
Simulation of the 13C nuclear magnetic resonance spectra of trisaccharides using multiple linear regression analysis and neural networks
✍ Scribed by Deborah L. Clouser; Peter C. Jurs
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 744 KB
- Volume
- 271
- Category
- Article
- ISSN
- 0008-6215
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📜 SIMILAR VOLUMES
Simulation of 13C nuclear magnetic reson
✍
Deborah L. Clouser; Peter C. Jurs
📂
Article
📅
1994
🏛
Elsevier Science
🌐
English
⚖ 956 KB
Nuclear magnetic resonance spectroscopy.
✍
Raymond E. Carhart; John D. Roberts
📂
Article
📅
1971
🏛
John Wiley and Sons
🌐
English
⚖ 200 KB
👁 1 views
## Abstract The ^1^H and ^13^C NMR spectra of 1,2‐dibromoethane‐^13^C~2~ have been analyzed to determine the magnitude (38·9 Hz) and sign (positive) of ^1^__J__(CC) relative to those of ^3^__J__(HH) (positive). This type of coupling appears to be rather insensitive to the presence of bromine or m