MARTINI coarse-grained model for crystalline cellulose microfibers

Journal of Physical Chemistry B

Volumn 119, Issue 2, 2015, Pages 465-473

  López, César A ^a   Bellesia, Giovanni ^b   Redondo, Antonio ^a   Langan, Paul ^c   Chundawat, Shishir P S ^d,e   Dale, Bruce E ^e   Marrink, Siewert J ^f   Gnanakaran, S ^a  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

^b University of California   (United States)

^c OAK RIDGE NATIONAL LABORATORY   (United States)

^d USA   (United States)

^e Michigan State University   (United States)

^f UNIVERSITY OF GRONINGEN   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

BIOPOLYMERS; CRYSTALLINE MATERIALS; MECHANICAL PROPERTIES;

BIOFUEL PRODUCTION; CELLULOSE NANOFIBERS; COARSE GRAINED MODELS; COARSE-GRAINED FORCE FIELDS; CRYSTALLINE CELLULOSE; CRYSTALLINE FIBERS; PHYSICO-CHEMICAL AND MECHANICAL PROPERTIES; STRUCTURE AND DYNAMICS;

CELLULOSE;

CELLULOSE; MICROCRYSTALLINE CELLULOSE;

CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; MECHANICS; TEMPERATURE; THERMODYNAMICS;

CARBOHYDRATE CONFORMATION; CELLULOSE; MECHANICAL PROCESSES; MODELS, MOLECULAR; TEMPERATURE; THERMODYNAMICS;

EID: 84921320959     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp5105938     Document Type: Article

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