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Current Inorganic Chemistry (Discontinued)


ISSN (Print): 1877-9441
ISSN (Online): 1877-945X

Modeling Transition Metal Complexes in the Framework of the Spin-Crossover Phenomenon: A DFT Perspective

Author(s): Latevi Max Lawson Daku

Volume 3, Issue 3, 2013

Page: [242 - 259] Pages: 18

DOI: 10.2174/1877944103666140110231029

Price: $65


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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