%0 Journal Article %A Lawson Daku, Latevi Max %T Modeling Transition Metal Complexes in the Frameworkof the Spin-Crossover Phenomenon: a DFT Perspective %J Current Inorganic Chemistry %@ 1877-9441 %V 3 %N 3 %P 242-259 %D 2013 %K density functional theory %K spin crossover %K transition metal complexes %R 10.2174/1877944103666140110231029 %U http://dx.doi.org/10.2174/1877944103666140110231029 %U http://archive-ouverte.unige.ch/unige:73072 %X 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.