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A very short uranium-uranium bond: The predicted metastable U22+

Pyykkö, Pekka
Roos, Björn O.
Published in Physical Chemistry Chemical Physics. 2005, vol. 7, no. 12, p. 2415-2417
Abstract Quantum chemical calculations, based on multiconfigurational wave functions and including relativistic effects, show that the U22+ system has a large number of low-lying electronic states with S of 0 to 2 and ranging from zero to ten. These states share a very small bond length of about 2.30, compared to 2.43 in neutral U2. The Coulomb explosion to 2 U+ lowers the energy by only 1.6 eV and is separated by a broad barrier.
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Research group Groupe Gagliardi
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GAGLIARDI, Laura, PYYKKÖ, Pekka, ROOS, Björn O. A very short uranium-uranium bond: The predicted metastable U22+. In: Physical Chemistry Chemical Physics, 2005, vol. 7, n° 12, p. 2415-2417. https://archive-ouverte.unige.ch/unige:3311

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Deposited on : 2009-09-21

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