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The .pi.-complex (benzene-ethylene) cation radical

โœ Scribed by Bally, Thomas.; Roth, Kuno.; Straub, Rolf.

Book ID
120270804
Publisher
American Chemical Society
Year
1988
Tongue
English
Weight
364 KB
Volume
110
Category
Article
ISSN
0002-7863

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๐Ÿ“œ SIMILAR VOLUMES

The ethylene radical cation: Twisted or
The ethylene radical cation: Twisted or planar?
โœ Nicholas C. Handy; Ross H. Nobes; Hans-Joachim Werner ๐Ÿ“‚ Article ๐Ÿ“… 1984 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 457 KB

Ab initio molecular-orbital calculations are used to examine the structure of the ethylene radiul ation. The results point to a twisted equilibrium geometry, in agreement with experiment Very large basis sets and highly correlated wavefunctions are necessary to describe even qualitatively the torsio