Comparison of atomic-level and coarse-grained models for liquid hydrocarbons from molecular dynamics configurational entropy estimates

Journal of Physical Chemistry B

Volumn 110, Issue 16, 2006, Pages 8464-8473

  Baron, Riccardo ^a   De Vries, Alex H ^a,b   Hünenberger, Philippe H ^a   Van Gunsteren, Wilfred F ^a  

^a ETH ZURICH   (Switzerland)

^b UNIVERSITY OF GRONINGEN   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

DEGREES OF FREEDOM (MECHANICS); ENTROPY; LIPIDS; MOLECULAR DYNAMICS; NUMERICAL METHODS; PARAFFINS; THERMODYNAMIC PROPERTIES;

ATOMIC-LEVEL MODELS; COARSE-GRAINED (CG) MODELS; DIOLEOYLPHOSPHATIDYLCHOLINE (DOPC); LIQUID HYDROCARBONS; MOLECULAR STRUCTURES;

HYDROCARBONS;

EID: 33646426637     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp055888y     Document Type: Article

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