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Distributed Response Analysis of Conductive Behavior in Single Molecules

Marc in het Panhuis, Robert W. Munn, Paul L. A. Popelier, Jonathan N. Coleman, Brian Foley and Werner J. Blau
Proceedings of the National Academy of Sciences of the United States of America
Vol. 99, No. 9, Supplement 2: Arthur M. Sackler Colloquium of the National Academy of Sciences. Sackler Colloquium on Nanoscience: Underlying Physical Concepts and Phenomena (Apr. 30, 2002), pp. 6514-6517
Stable URL: http://www.jstor.org/stable/3057715
Page Count: 4
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Distributed Response Analysis of Conductive Behavior in Single Molecules
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Abstract

The ab initio computational approach of distributed response analysis is used to quantify how electrons move across conjugated molecules in an electric field, in analogy to conduction. The method promises to be valuable for characterizing the conductive behavior of single molecules in electronic devices.

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