204 citations · 719 across the 8 of their papers we have counts for
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Theoretical characterization of the electronic properties of extended thienylenevinylene oligomers
Christophe Krzeminski, Christophe Delerue, Guy Allan +5
We present semiempirical tight binding calculations on thienylenevinylene oligomers up to the hexadecamer stage (n=16) and ab initio calculations based on the local density approxi…
Theory of electrical rectification in a molecular monolayer
Christophe Krzeminski, Christophe Delerue, Guy Allan +2
The current-voltage characteristics in Langmuir-Blodgett monolayers of γ-hexadecylquinolinium tricyanoquinodimethanide (C16H33Q-3CNQ) sandwiched between Al or Au electrodes is calc…
Tight binding description of the electronic response of a molecular device to an applied voltage
Christophe Krzeminski, Christophe Delerue, Guy Allan
We analyze the effect of an external electric field on the electronic structure of molecules which have been recently studied as molecular wires or diodes. We use a self-consistent…