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Molecular dynamics of cellulose crystal surfaces with ChemShell.

, and . ICCS, volume 1 of Procedia Computer Science, page 1149-1154. Elsevier, (2010)

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Localization of molecular orbitals on fragments.. J. Comput. Chem., 33 (17): 1495-1510 (2012)Identification and thermodynamic treatment of several types of large-amplitude motions., and . J. Comput. Chem., 26 (14): 1438-1451 (2005)Molecular dynamics of cellulose crystal surfaces with ChemShell., and . ICCS, volume 1 of Procedia Computer Science, page 1149-1154. Elsevier, (2010)