molecular dynamics – Reinhard J. Maurer

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

06-5-201505-19-2016 reinimaurer

Wetting of Ialpha cellulose surface

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

Molecular Dynamics of cellulose crystal surfaces with ChemShell

06-4-201506-5-2015 reinimaurer

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