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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  and
Karl Sohlberg
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
Information
MRS Online Proceedings Library (OPL) , Volume 708: Symposium BB – Organic Optoelectronic Materials, Processing and Devices , 2001 , BB3.12
Copyright
Copyright © Materials Research Society 2002

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References

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