| Download | - View final version: Structure of the benzene dimer - governed by dynamics (PDF, 681 KiB)
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| DOI | Resolve DOI: https://doi.org/10.1002/anie.201300653 |
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| Author | Search for: Schnell, Melanie; Search for: Erlekam, Undine; Search for: Bunker, P. R.1; Search for: von Helden, Gert; Search for: Grabow, Jens-Uwe; Search for: Meijer, Gerard; Search for: van der Avoird, Ad |
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| Affiliation | - National Research Council of Canada. Security and Disruptive Technologies
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| Format | Text, Article |
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| Subject | Ab initio calculations; Internal rotation; Noncovalent interactions; Rotational spectroscopy; Tunneling |
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| Abstract | The benzene dimer, an important prototype for studying noncovalent interactions, exhibits characteristic splitting patterns in its rotational spectrum, which for a long time were not understood. A new theoretical model reveals their origin: a concerted internal motion involving sixfold hindered rotation tunneling of the molecule forming the stem of the T-shaped structure and tilt tunneling of the cap. |
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| Publication date | 2013-05-03 |
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| Publisher | Wiley |
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| In | |
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| Language | English |
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| Peer reviewed | Yes |
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| NPARC number | 23000613 |
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| Export citation | Export as RIS |
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| Report a correction | Report a correction (opens in a new tab) |
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| Record identifier | d7b02dd1-353d-47ee-8695-aa331333a80a |
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| Record created | 2016-08-05 |
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| Record modified | 2020-06-02 |
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