Transferability of the coarse-grained potentials for trans-1,4-polybutadiene
Author:
Affiliation:
1. Beijing National Laboratory for Molecular Sciences
2. State Key Laboratory of Polymer Physics and Chemistry
3. Institute of Chemistry
4. Chinese Academy of Sciences
5. Beijing 100190
Abstract
The CG torsion potential has a dual effect on the reproduction of crystallization of trans-1,4-polybutadiene in CG simulation.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2015/CP/C5CP05017K
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