Cages, baskets, ladders, and tubes: Conformational studies of polyhedral oligomeric silsesquioxanes

Authors :: Hillson, Sean D.
Smity, Emelyn
Zeldin, Martel
Parish, Carol A.
Source :: Journal of Physical Chemistry A. Sept 22, 2005, Vol. 109 Issue 37, p8371, 8 p.
Publication Year :: 2005
Abstract: The conformational flexibility of a series of cage, basket, ladder, and tube polyhedral oligomeric silsesquixones (POSS) is examined using the Low Mode:Monte Carlo conformational search method in conjunction with the MM3*/GBSA(CHCl3) surface. Results indicate that, except for the ladder molecule, the incompletely condensed systems that are studied are relatively rigid.

Subjects :: Silica -- Chemical properties
Monte Carlo method -- Usage
Oligomers -- Chemical properties
Conformational analysis -- Research
Chemicals, plastics and rubber industries

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