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A molecule containing a nitroamine redox center (2'-amino-4-ethynylphenyl-4'-ethynylphenyl-5'-nitro-1-benzenethiol), which is attached by gold electrodes from both sides, is studied by using ab initio theories and Green's function formalisms. We find that the twisting of the middle benzene ring will greatly change the electronic transport properties of the molecular devices, and observe crucial effects...
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