How good are coarse-grained polymer models? A comparison for atactic polystyrene

ChemPhysChem

Volumn 13, Issue 15, 2012, Pages 3428-3439

  Karimi Varzaneh, Hossein Ali ^b,c   Van Der Vegt, Nico F A ^b   Müller Plathe, Florian ^b   Carbone, Paola ^a  

^a UNIVERSITY OF MANCHESTER   (United Kingdom)

^b DARMSTADT UNIVERSITY OF TECHNOLOGY   (Germany)

^c MAX PLANCK INSTITUTE OF BIOPHYSICS   (Germany)

Author keywords

computational chemistry; molecular dynamics; molecular modeling; polymers; structure activity relationships

Indexed keywords

COMPUTATIONAL CHEMISTRY; MAPPING; MOLECULAR DYNAMICS; MOLECULAR MODELING; POLYMERS;

ATACTIC POLYSTYRENES; COARSE GRAINED MODELS; COARSE GRAINING; COARSE-GRAINED; DYNAMICAL PROPERTIES; MAPPING SCHEME; POLYMER MODELS; STRUCTURE ACTIVITY RELATIONSHIPS;

POLYSTYRENES;

EID: 84867555056     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.201200111     Document Type: Review

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