Conformational analysis of poly(di-n-butylsilane), poly(di-n-hexysilane), and poly(methyl-n-propylsilane) by a rotational siomeric state scheme with molecular dynamics simulations

Authors :: Sasanuma, Yuji
Kato, Haruhisa
Kaito, Akira
Source :: Journal of Physical Chemistry B. Oct 30, 2003, Vol. 107 Issue 43, p11852, 9 p.
Publication Year :: 2003
Abstract: A methodology for conformational analyses of polymers having long side chains was presented. By incorporating the solvents into the MD simulations, a process reproduction of the experiment is possible.

Subjects :: Chemistry, Physical and theoretical -- Research
Solvents -- Chemical properties
Molecular dynamics -- Analysis
Conformational analysis -- Usage
Chemicals, plastics and rubber industries

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