Coarse-grained polyethylene: Including cross terms in bonded interactions and introducing anisotropy into the model for the orthorhombic crystal

Our previous paper (E.A. Zubova, I.A. Strelnikov, N.K. Balabaev, A.V. Savin, M.A. Mazo, and L.I. Manevich, Polym. Sci., Ser. A 59 (1) (2017)) addressed the simplest coarse-grained model of polyethylene and alkanes. The CH 2 group in this united-atom model is replaced with a bead. In the framework of...

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Veröffentlicht in:	Polymer science. Series A, Chemistry, physics Chemistry, physics, 2017-03, Vol.59 (2), p.242-252
Hauptverfasser:	Strelnikov, I. A., Zubova, E. A., Mazo, M. A., Manevich, L. I.
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemistry Chemistry and Materials Science Polymer Sciences Theory and Simulation
Online-Zugang:	Volltext
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