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Computational Studies on the Cyclization of Enediynes, Enyne-Allenes, and Related Polyunsaturated Systems

✍ Scribed by Peter R. Schreiner; Armando Navarro-Vazquez; Matthias Prall


Publisher
John Wiley and Sons
Year
2005
Weight
8 KB
Volume
36
Category
Article
ISSN
0931-7597

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Computational Studies on the Cyclization
✍ Elena BuΓ±uel; Juan Marco-MartΓ­nez; Sergio DΓ­az-Tendero; Fernando MartΓ­n; Manuel πŸ“‚ Article πŸ“… 2006 πŸ› John Wiley and Sons 🌐 English βš– 270 KB πŸ‘ 1 views

## Abstract __Computational studies on the cyclization reactions of some polycyclic aromatic hydrocarbons (PAHs) were performed at the DFT level. Compounds C~26~H~14~ and C~24~H~14~, which show the connectivity of C~60~ fullerene fragments, were chosen as suitable models to study the formation of c