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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 104, 2006 - Issue 20-21
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Original Articles

Cyclic : metastable and aromatic

&
Pages 3161-3165 | Received 18 May 2006, Accepted 02 Oct 2006, Published online: 16 Feb 2007
 

Abstract

Mapping of induced current density within the ipsocentric approach for shows that this 6π electron system has the HOMO-dominated diatropic π ring current expected of a typical aromatic molecule, in spite of its high internal energy.

Acknowledgements

R. W. A. H. acknowledges financial support from the Netherlands Organisation for Scientific Research (NWO), grant 700.53.401, and P. W. F. acknowledges financial support from the Royal Society/Wolfson Research Merit Award Scheme. We gratefully acknowledge NWO/NCF for supercomputer time on TERAS/ASTER, SARA (The Netherlands, project number SG-032).

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