Publication
The Journal of Chemical Physics
Paper

Electronic properties of polypyrrole: An ab initio Hartree-Fock study

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Abstract

We present band structure calculations on neutral polypyrrole. The calculations are performed at the Hartree-Fock ab initio level with the use of a program specifically adapted for polymer applications. The density of states computed from the band structure compares very well with the UPS data on neutral polypyrrole. © 1984 American Institute of Physics.

Date

01 Jan 1984

Publication

The Journal of Chemical Physics

Authors

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