United Atom Force Field for Molecular Dynamics Simulations of 1,4-Polybutadiene Based on Quantum Chemistry Calculations on Model Molecules
Author:
Affiliation:
1. Department of Materials Science and Engineering and Department of Chemical and Fuels Engineering, University of Utah, Salt Lake City, Utah 84112
2. Institut für Physik, Johannes Gutenberg Universität, D-55099 Mainz, Germany
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp9730858
Reference39 articles.
1. Dielectric susceptibility measurements of the primary and secondary relaxation in polybutadiene
2. Merging of the α and β relaxations in polybutadiene: A neutron spin echo and dielectric study
3. Homogeneity properties of NMR rates measured in molten polybutadiene. Temperature dependence of segmental chain motions
4. Carbon-13 NMR investigation of local dynamics in bulk polymers at temperatures well above the glass-transition temperature. 3. cis-1,4-Polybutadiene and cis-1,4-polyisoprene
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