REACH coarse-grained simulation of a cellulose fiber

Biomacromolecules

Volumn 13, Issue 9, 2012, Pages 2634-2644

  Glass, Dennis C ^a,b   Moritsugu, Kei ^c   Cheng, Xiaolin ^a,b   Smith, Jeremy C ^a,b  

^a OAK RIDGE NATIONAL LABORATORY   (United States)

^b UNIVERSITY OF TENNESSEE   (United States)

^c RIKEN   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ALL-ATOM MODEL; BIOFUEL PRODUCTION; CELLULOSE FIBER; COARSE-GRAINED; COARSE-GRAINED FORCE FIELDS; ELASTIC FORCE; ELASTIC PROPERTIES; FORCE FIELDS; HYDROPHOBIC SURFACES; LOW-FREQUENCY VIBRATIONAL SPECTRA; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR LEVELS; NORMAL MODE ANALYSIS; PERSISTENCE LENGTH; YOUNG'S MODULUS;

COVARIANCE MATRIX; ELASTICITY; MOLECULAR DYNAMICS; SURFACE CHEMISTRY; TEXTILE FIBERS;

CELLULOSE;

CELLULOSE;

ARTICLE; CRYSTAL; ELASTICITY; FIBER; PRIORITY JOURNAL; SIMULATION; VELOCITY;

ALGORITHMS; BIOFUELS; BIOMASS; CARBOHYDRATE CONFORMATION; CELLULOSE; CRYSTALLIZATION; ELASTIC MODULUS; HYDROLYSIS; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; MOLECULAR DYNAMICS SIMULATION; THERMODYNAMICS;

EID: 84866140371     PISSN: 15257797     EISSN: 15264602     Source Type: Journal    
DOI: 10.1021/bm300460f     Document Type: Article

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