Supplementary data for the mechanism research for depolymerization of cellulose induced by hydroxyl radical using GC–MS, reaction kinetics simulation and quantum chemistry computation-Reference-Cited by-同舟云学术

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

Published:2020-04 Issue: Volume:29 Page:105329
ISSN:2352-3409
Container-title:Data in Brief
language:en
Short-container-title:Data in Brief

Author:

Shao Chunfu,Shao Qiang,Wang Xiaoyi,Ling Jun,Guo Xiao,Ning Yulin,Dai Yujie,Jia Shiru,Qiao Yuanyuan,Li Changwen,Zhao Kai

Funder

Natural Science Foundation of Tianjin City

for Science and Technology

Publisher

Elsevier BV

Subject

Multidisciplinary

Reference8 articles.

1. Study on cellulose degradation induced by hydroxyl radical with cellobiose as a model using GC–MS, ReaxFF simulation and DFT computation;Shao;Carbohydr. Polym.,2020

2. Gaussian 09, Revision D. 01;Frisch,2013

3. ChemBioOffice ultra 2010 suite;Kerwin;J. Am. Chem. Soc.,2010

4. BIOVIA Discovery Studio Modeling Environment;Systèmes,2016

5. PACKMOL: a package for building initial configurations for molecular dynamics simulations;Martínez;J. Comput. Chem.,2009

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2. Synthesis of isopropyl acetate by acetone method and its reaction mechanism;Chemical Engineering Research and Design;2021-10

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