Diversity of potential hydrogen bonds in cellulose I revealed by molecular dynamics simulation
Author:
Publisher
Springer Science and Business Media LLC
Subject
Polymers and Plastics
Link
http://link.springer.com/content/pdf/10.1007/s10570-013-0053-x.pdf
Reference29 articles.
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3. Berendsen HJC, Postma JPM, Van Gunsteren WF, DiNola A, Haak JR (1984) Molecular dynamics with coupling to an external bath. J Chem Phys 81:3684–3690
4. Bergenstråhle M, Berglund LA, Mazeau K (2007) Thermal response in crystalline Iβ cellulose: a molecular dynamics study. J Phys Chem B 111:9138–9145
5. Bussi G, Donadio D, Parrinello M (2007) Canonical sampling through velocity rescaling. J Chem Phys 126:014101–014107
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