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Chen, X. (author), Yuan, C.A. (author), Wong, K.Y. (author), Zhang, G.Q. (author)
Molecular dynamics (MD) and molecular mechanical (MM) analysis are carried out to provide reliable and accurate model for emeraldine base polyaniline. This study validate the forcefields and model with the physical and mechanical properties of the polyaniline. The temperature effects on non-bond energy, potential energy and solubility parameter...
journal article 2010