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A New View on the Spectrochemical and Nephelauxetic Series on the Basis of Spin‐Polarized Conceptual DFT |
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| Authors: | Jan Moens Pablo Jaque Dr. Frank De Proft Prof. Dr. Paul Geerlings Prof. Dr. |
| Affiliation: | Eenheid Algemene Chemie, Faculteit Wetenschappen, Vrije Universiteit Brussel (VUB), Pleinlaan 2, Brussels (Belgium), Fax: (+32)?2‐629‐33‐17 |
| Abstract: | In a row: Chemical concepts from the spin‐polarized conceptual DFT field are used to explain the spectrochemical and nephelauxetic series within a group of ruthenium complexes.  |
| Keywords: | density functional calculations ligand effects nephelauxetic series spectrochemical series transition metals |