Today a new paper was published in Chem. Comm. on the formation of products in Prato reactions, and how NMR parameters and reaction energies as computed by DFT are consistent. S. Osuna, A. Rodríguez-Fortea, J.M. Poblet, M. Solà, and M. Swart “Product formation in the Prato reaction on Sc3N@D5h-C80: preference for [5,6]-bonds, and not pyracylenic
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Category: Marcel Swart news
Today a new Perspective paper was published in PCCP on the reactivity of endohedral (metallo)fullerenes. S. Osuna, M. Swart, and M. Solà “The reactivity of endohedral fullerenes. What can be learnt from computational studies?” Phys. Chem. Chem. Phys. 2011, 13, 3585-3603 DOI: 10.1039/c0cp01594f It also featured on the Cover of the journal!