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Refining the Interpretation of Near‐Infrared Band Shapes in a Polyynediyl Molecular Wire |
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| Authors: | Matthias Parthey Dr Josef B G Gluyas Dr Phil A Schauer Dr Dmitry S Yufit Prof?Dr Judith A K Howard Prof?Dr Martin Kaupp Prof?Dr Paul J Low |
| Institution: | 1. Technische Universit?t Berlin, Institut für Chemie, Sekr. C7, Strasse des 17. Juni 135, 10623 Berlin (Germany);2. Durham University, Department of Chemistry, Science Site, South Road, Durham, DH1 3LE (UK) |
| Abstract: | |
| Keywords: | density functional calculations electron transfer mixed‐valent compounds NIR band shapes rotamer |