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| PDF - Submitted Version arXiv PDF (17.06.2013) (714kB) |
- URN to cite this document:
- urn:nbn:de:bvb:355-epub-336419
- DOI to cite this document:
- 10.5283/epub.33641
Abstract
We investigate the torsional vibrations in biphenyl-like molecular junctions and transport properties in the presence of an external THz field. Ab initio calculations including external electric fields show that the torsional angle φ of a thiolated biphenyl junction exhibits virtually no response. However, if functional groups are added to the molecule, creating a dipole moment in each of the ...
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