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Łukasz Walewski, Przemysław Dopieralski, Oleg V. Shishkin and Zdzisław Latajka Quantum delocalization of benzene in the ring puckering coordinates International Journal of Quantum Chemistry 114

Version of Record online: 4 JAN 2014 | DOI: 10.1002/qua.24606

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Ring puckering coordinates are used to demonstrate that the zero point motion of carbon atoms dominates over the thermal out-of-plane motions of the aromatic ring of benzene. This striking feature is true not only at low temperatures, at which such behavior would not be surprising, but also at room temperature, where nuclear quantum effects are usually less important, especially in the case of such heavy nuclei as carbon.

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