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Modeling Transition Metal Complexes in the Framework of the Spin-Crossover Phenomenon: A DFT Perspective |
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Published in | Current inorganic chemistry. 2013, vol. 3, no. 3, p. 242-259 | |
Abstract | Using the study of the low-spin complex [Fe(bpy)3]2+ in the gas phase and in condensed phases as a guideline, we examine different aspects of the application of DFT to the study of transition metal complexes in the framework of spin crossover or related phenomena. | |
Keywords | Density functional theory — Spin crossover — Transition metal complexes | |
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Research group | Groupe Hauser | |
Citation (ISO format) | LAWSON DAKU, Latevi Max. Modeling Transition Metal Complexes in the Framework of the Spin-Crossover Phenomenon: A DFT Perspective. In: Current inorganic chemistry, 2013, vol. 3, n° 3, p. 242-259. doi: 10.2174/1877944103666140110231029 https://archive-ouverte.unige.ch/unige:73072 |