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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

Ari Silver
Affiliation:
Department of ChemistryDrexel UniversityPhiladelphia, PA 19104
Karl Sohlberg
Affiliation:
Department of ChemistryDrexel UniversityPhiladelphia, PA 19104
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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.

Type
Research Article
Copyright
Copyright © Materials Research Society 2002

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References

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