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DFT Optimization of Isolated Molecular Chain Sheet Models Constituting Native Cellulose Crystal Structures
[Image: see text] Because of high crystallinity and natural abundance, the crystal structures of the native cellulose allomorphs have been theoretically investigated to elucidate the cellulose chain packing schemes. Here, we report systematic structure optimization of cellulose chain sheet models is...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6644672/ https://www.ncbi.nlm.nih.gov/pubmed/31458942 http://dx.doi.org/10.1021/acsomega.8b00834 |