Proceedings of the Symposium on Chemoinformatics
34th Symposium on Chemical Information and Computer Sciences, Nagasaki
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Poster Session
Molecular Design for Electron-Transporting Molecules using Vibronic Coupling Density
*Tohru SatoKatsuyuki ShizuKazuyoshi TanakaHironori Kaji
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Pages P10

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Abstract
In the development of highly efficient organic light-emitting diodes, carrier-transporting materials with a high mobility and a low energy dissipation. It is necessary to reduce vibronic couplings in a molecule. A concept of vibronic coupling density enables us to control vibronic couplings. In this presentation, we will present a design principle of carrier-transporting molecules and novel electron-transporting molecules as examples.
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© 2011 The Chemical Society of Japan
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