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research article
The norbornene mystery revealed
The long-standing mystery surrounding the peculiar electronic structure of norbornene and its derivatives is revealed by the direct comparisons of their properties with those of reference analogues with localized double bonds (i.e. Lewis structures). Our block-localized wavefunction analysis coupled with the computations of NMR parameters evidently supports the manifestation of a density redistribution toward an incipient retro-Diels-Alder reaction.
Type
research article
Web of Science ID
WOS:000285068300029
Authors
Publication date
2011
Published in
Volume
47
Start page
227
End page
229
Peer reviewed
REVIEWED
Available on Infoscience
December 16, 2011
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