Computational Study of Bond Dissociation Enthalpies for Substituted β-O-4 Lignin Model Compounds
✍ Scribed by Dr. Jarod M. Younker; Dr. Ariana Beste; Dr. A. C. Buchanan III
- Publisher
- John Wiley and Sons
- Year
- 2011
- Tongue
- English
- Weight
- 987 KB
- Volume
- 12
- Category
- Article
- ISSN
- 1439-4235
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📜 SIMILAR VOLUMES
## Abstract The dynamical conformational behavior of a guaiacyl β‐O‐4 lignin model compound has been investigated by molecular simulations. The potential energy surface of the molecule in vacuum has been examined by means of an adiabatic map, showing a large accessible conformational space with mul
## Abstract Intramolecular H‐bonding interactions were investigated in solution for the __threo__ and __erythro__ diastereomeric forms of a guaiacyl β‐O‐4 lignin model compound by using the NMR data obtained from hydroxyl protons. Temperature coefficients of the chemical shifts (dδ/d__T__) and coup