Theoretical study of the structural stability of molecular chain sheet models of cellulose crystal allomorphs

Journal of Physical Chemistry B

Volumn 118, Issue 31, 2014, Pages 9313-9321

  Uto, Takuya ^a   Mawatari, Sho ^a   Yui, Toshifumi ^a  

^a UNIVERSITY OF MIYAZAKI   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CELLULOSE; MOLECULAR DYNAMICS; STABILITY; STRUCTURAL OPTIMIZATION;

CELLULOSE CRYSTALS; CRYSTAL CONVERSION; FINITE DIMENSIONS; HYDROXYMETHYL GROUPS; MOLECULAR DYNAMICS SIMULATIONS; STRUCTURAL FEATURE; STRUCTURAL STABILITIES; THEORETICAL STUDY;

COMPUTER SIMULATION;

CELLULOSE; SOLUTION AND SOLUBILITY; WATER;

CHEMICAL MODEL; CHEMISTRY; MOLECULAR DYNAMICS; SOLUTION AND SOLUBILITY;

CELLULOSE; MODELS, CHEMICAL; MOLECULAR DYNAMICS SIMULATION; SOLUTIONS; WATER;

EID: 84905748919     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp503535d     Document Type: Article

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