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Transport of organic vapors through poly(1-trimethylsilyl-1-propyne)

โœ Scribed by I. Pinnau; L.G. Toy

Book ID
103790788
Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
841 KB
Volume
116
Category
Article
ISSN
0376-7388

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The bonded constants in the DREIDING force field have been parameterized for poly[1-(trimethylsilyl)-1-propyne] (PTMSP) from AM1 calculations of the dimer. The resultant force field has been validated through the simulation of amorphous cell density and x-ray data (d-spacing) and used to obtain diff