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Publications

No. of Publications: 50

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Molecular simulation of surface reorganization and wetting in crystalline cellulose I and II

Molecular simulation of surface reorganization and wetting in crystalline cellulose I and II

R. J. Maurer, A. F.. Sax, V. Ribitsch, Cellulose 20, 25-42 (2013)

Reconstruction and wetting of cellulose strongly modifies the hydrogen bonding network

Thu 12 Oct 2017, 20:16 | Tags: cellulose surface, molecular dynamics

Molecular Dynamics of cellulose crystal surfaces with ChemShell

Molecular Dynamics of cellulose crystal surfaces with ChemShell

R. J. Maurer, A. F. Sax, Procedia Comput. Sci. 1, 1149-1154 (2010)

Studying the reconstruction of cellulose crystal surfaces with the ChemShell package

Thu 12 Oct 2017, 19:40 | Tags: cellulose surface, molecular dynamics