Molecular Dynamics Simulations of Cellul
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SΓ©verine Queyroy; Florian MΓΌller-Plathe; David Brown
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Article
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2004
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John Wiley and Sons
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English
β 345 KB
## Abstract **Summary:** The results of classical molecular simulations of cellulose oligomers are presented here. The conformations of the chains in the high temperature melt, room temperature quenched melt and gas phase are compared with respect to various geometrical parameters including square