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1. Change in electronic structure of polyenes due to interaction with polyacenes and with graphitic strips

Author

Howard, I.A., Klein, D.J., March, N.H., Alsenoy, C. Van, Suhai, S., Janosvalfi, Z., and Nagy A.

Subjects
Electron configuration -- Research, Hartree-Fock approximation -- Usage, Polyenes -- Structure, Polyenes -- Chemical properties, Chemicals, plastics and rubber industries
Abstract

The change in polyene bond lengths with distance from the polyacene and the modification of the HOMO-LUMO energy gap brought about by chemisorption of the polyene on some polyacenes is presented. The conclusion states that the dispersion interactions would play a role in the interaction between planar conjugated systems.

Published
2004

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