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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 theorySpin crossoverTransition metal complexes
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Research group Groupe Hauser
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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. https://archive-ouverte.unige.ch/unige:73072

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Deposited on : 2015-06-09

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