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Journal articles
Chemistry of the 5g elements. Relativistic calculations on hexafluorides
Abstract : A Periodic System was proposed for the elements 1-172 by Pyykkö (Phys. Chem. Chem. Phys. 2011, 13, 161) on the basis of atomic and ionic calculations. In it, the elements 121-138 were nominally assigned to a 5g row. We now perform molecular, relativistic four-component DFT calculations and find that the hexafluorides of the elements 125-129 indeed enjoy occupied 5g states.
Cited literature [14 references]
https://hal-cea.archives-ouvertes.fr/cea-01515489
Contributor : Serge Palacin <>
Submitted on : Thursday, April 27, 2017 - 3:25:53 PM
Last modification on : Tuesday, November 3, 2020 - 9:50:49 AM
Long-term archiving on: : Friday, July 28, 2017 - 1:17:01 PM
Contributor : Serge Palacin <>
Submitted on : Thursday, April 27, 2017 - 3:25:53 PM
Last modification on : Tuesday, November 3, 2020 - 9:50:49 AM
Long-term archiving on: : Friday, July 28, 2017 - 1:17:01 PM
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Dognon_ACIE2017_V0.pdf
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