A novel supra coarse-grained model for cellulose

被引:0
|
作者
Aleksandar Y. Mehandzhiyski
Nicolas Rolland
Mohit Garg
Jakob Wohlert
Mathieu Linares
Igor Zozoulenko
机构
[1] Linköping University,Laboratory of Organic Electronics, ITN
[2] KTH Royal Institute of Technology,Division of Theoretical Chemistry and Biology
[3] KTH Royal Institute of Technology,Department of Fibre and Polymer Technology, School of Engineering Sciences in Chemistry, Biotechnology and Health
[4] KTH Royal Institute of Technology,Wallenberg Wood Science Centre
[5] Linköping University,Department for Media and Information Technology, ITN
[6] Linköping University,Swedish e
[7] Linköping University,Science Research Centre (SeRC)
来源
Cellulose | 2020年 / 27卷
关键词
Coarse-grained; Cellulose nano crystals; Molecular dynamics simulations; Chiral nematic;
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
页码:4221 / 4234
页数:13
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