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A Novel Conformational Searching Technique applied to small polymer units of 3-phenyl-1-ureidonitrile
Published online by Cambridge University Press: 15 March 2011
Abstract
A novel conformational searching scheme is employed to identify low energy structures for low-degree polymers of 3-phenyl-1-ureidonitrile, a proposed thin film data storage material. Vibrational analysis of the predicted polymer structures is consistent with experimental reports and supports the experimentally proposed polymerization mechanism.
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- Research Article
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- Copyright © Materials Research Society 2002
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