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Molecular Modeling of Syringyl and p -Hydroxyphenyl β- O -4 Dimers. Comparative Study of the Computed and Experimental Conformational Properties of Lignin β- O -4 Model Compounds

✍ Scribed by Besombes, Stéphane; Robert, Danielle; Utille, Jean-Pierre; Taravel, François R.; Mazeau, Karim

Book ID
120570161
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
221 KB
Volume
51
Category
Article
ISSN
0021-8561

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Molecular dynamics simulations of a guai
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## 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

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