Cellulose dissolution in ionic liquid from hydrogen bonding perspective: first-principles calculations
Author:
Funder
Industry-University Project of Fujian Provincial Department of Science and Technology
Publisher
Springer Science and Business Media LLC
Subject
Polymers and Plastics
Link
https://link.springer.com/content/pdf/10.1007/s10570-023-05140-9.pdf
Reference49 articles.
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2. Cao B, Du J, Du D, Sun H, Zhu X, Fu H (2016) Cellobiose as a model system to reveal cellulose dissolution mechanism in acetate-based ionic liquids: density functional theory study substantiated by NMR spectra. Carbohydr Polym 149:348–356. https://doi.org/10.1016/j.carbpol.2016.04.128
3. Cocinero EJ, Gamblin DP, Davis BG, Simons JP (2009) The building blocks of cellulose: the intrinsic conformational structures of cellobiose, its epimer, lactose, and their singly hydrated complexes. J Am Chem Soc 131:11117–11123. https://doi.org/10.1021/ja903322w
4. Delley B (1998) Scattering theoretic approach to scalar relativistic corrections on bonding. Quantum Chem 69:423–433. https://doi.org/10.1002/(SICI)1097-461X(1998)69:3%3c423::AID-QUA19%3e3.0.CO;2-2
5. Delley B (2000) From molecules to solids with the DMol3 approach. J Chem Phys 113:7756–7764. https://doi.org/10.1063/1.1316015
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