S. Chen, Shien-Jy Lee
1995
Citations
0
Influential Citations
4
Citations
Journal
Polymer
Abstract
Abstract Molecular simulation of the crystalline structure of poly(3-dodecylthiophene), starting from the ideal ‘alternating inverse comb’ structure model, together with a consideration of thermal agitation in the main-chains and side-chains using molecular dynamics and diffraction simulation software provides good agreement of the calculated X-ray diffraction patterns with the experimental results for non-oriented and oriented samples.