Supplementary data for the mechanism research for depolymerization of cellulose induced by hydroxyl radical using GC–MS, reaction kinetics simulation and quantum chemistry computation

This data article contains the chemical structure of cellobiose, which was chosen as the model molecule of cellulose. A brief diagram of the reaction system established by Packmol containing celluloses, hydroxyl radicals and water for ReaxFF kinetic simulation as well as the energy change curve obta...

Täydet tiedot

Tallennettuna:
Bibliografiset tiedot
Julkaisussa:Data Brief
Päätekijät: Shao, Chunfu, Shao, Qiang, Wang, Xiaoyi, Ling, Jun, Guo, Xiao, Ning, Yulin, Dai, Yujie, Jia, Shiru, Qiao, Yuanyuan, Li, Changwen, Zhao, Kai
Aineistotyyppi: Artigo
Kieli:Inglês
Julkaistu: Elsevier 2020
Aiheet:
Chemistry
Linkit:https://ncbi.nlm.nih.gov/pmc/articles/PMC7068048/
https://ncbi.nlm.nih.gov/pubmed/32190720
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.dib.2020.105329
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