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Partial Structure Factors in 1,4-Polybutadiene. A Combined Neutron Scattering and Molecular Dynamics Simulations Study

✍ Scribed by Narros, A.; Arbe, A.; Alvarez, F.; Colmenero, J.; Zorn, R.; Schweika, W.; Richter, D.

Book ID: 126235545
Publisher: American Chemical Society
Year: 2005
Tongue: English
Weight: 173 KB
Volume: 38
Category: Article
ISSN: 0024-9297
DOI: 10.1021/ma051466a

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## Abstract Summary: We present results for the temperature and pressure dependence of local structure and chain packing in __cis__‐1,4‐polybutadiene (__cis__‐1,4‐PB) from detailed molecular dynamics (MD) simulations with a united‐atom model. The simulations have been executed in the NPT statistica