Study on cellulose degradation induced by hydroxyl radical with cellobiose as a model using GC–MS, ReaxFF simulation and DFT computation

Published 2019 View Full Article

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Title
Study on cellulose degradation induced by hydroxyl radical with cellobiose as a model using GC–MS, ReaxFF simulation and DFT computation
Authors
Keywords
ReaxFF, Reaction kinetics, Density functional theory (DFT), Gas chromatography mass spectra (GC–MS), Cellobiose
Journal
CARBOHYDRATE POLYMERS
Volume 233, Issue -, Pages 115677
Publisher
Elsevier BV
Online
2019-12-27
DOI
10.1016/j.carbpol.2019.115677

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