A replica exchange molecular dynamics simulation of a single polyethylene chain: Temperature dependence of structural properties and chain conformational study at the equilibrium melting temperature

Journal of Chemical Theory and Computation

Volumn 7, Issue 1, 2011, Pages 188-202

  Li, Ting ^a   Yang, Xiaozhen ^b   Nies, Erik ^a,c  

^a Katholieke Universiteit Leuven   (Belgium)

^b INSTITUTE OF CHEMISTRY   (China)

^c EINDHOVEN UNIVERSITY OF TECHNOLOGY   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 78651365435     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct100513y     Document Type: Article

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