RELATIVISTIC-DFT STUDY OF THE ELECTRONIC STRUCTURE, BONDING AND ENERGETIC OF THE [ReF8]־ AND [UF8]2- IONS
In this study we evaluated the importance of the relativistic effects (scalar and spin-orbit) on the description of the electronic structure, bonding and the energetic of the [ReF8]- and [UF8]2- ions. We described the bonding interaction between ligands and metal center using the energy decompositio...
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| Auteurs principaux: | , |
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| Langue: | English |
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Sociedad Chilena de Química
2013
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| Accès en ligne: | http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072013000400025 |
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