Replica-exchange molecular dynamics simulations of cellulose solvated in water and in the ionic liquid 1-butyl-3-methylimidazolium chloride

Journal of Physical Chemistry B

Volumn 118, Issue 38, 2014, Pages 11037-11049

  Mostofian, Barmak ^a,b   Cheng, Xiaolin ^a,b   Smith, Jeremy C ^a,b  

^a OAK RIDGE NATIONAL LABORATORY   (United States)

^b UNIVERSITY OF TENNESSEE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

1-BUTYL-3-METHYLIMIDAZOLIUM CHLORIDE; REPLICA-EXCHANGE MOLECULAR DYNAMICS SIMULATIONS;

1-BUTYL-3-METHYLIMIDAZOLIUM CHLORIDE; CELLULOSE; IMIDAZOLE DERIVATIVE; IONIC LIQUID; WATER;

CHEMISTRY; MOLECULAR DYNAMICS;

CELLULOSE; IMIDAZOLES; IONIC LIQUIDS; MOLECULAR DYNAMICS SIMULATION; WATER;

EID: 84907465666     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp502889c     Document Type: Article

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