Structural changes in the molecular sheets along (hk0) planes derived from cellulose Iβ by molecular dynamics simulations

Cellulose

Volumn 20, Issue 3, 2013, Pages 1089-1098

  Miyamoto, Hitomi ^a   Yamane, Chihiro ^b   Ueda, Kazuyoshi ^a  

^a YOKOHAMA NATIONAL UNIVERSITY   (Japan)

^b KOBE WOMEN'S UNIVERSITY   (Japan)

Author keywords

Initial structure; Molecular dynamics (MD) simulation; Molecular sheet; Native cellulose; Structural formation mechanism

Indexed keywords

INITIAL STRUCTURES; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR SHEETS; NATIVE CELLULOSE; STRUCTURAL FORMATION;

CELLULOSE; HYDROGEN BONDS; MOLECULAR DYNAMICS; VAN DER WAALS FORCES;

CRYSTAL STRUCTURE;

EID: 84877588663     PISSN: 09690239     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10570-013-9915-5     Document Type: Article

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