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

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Title		Modeling Transition Metal Complexes in the Framework of the Spin-Crossover Phenomenon: A DFT Perspective
Author		Lawson Daku, Latevi Max
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
Identifiers		DOI: 10.2174/1877944103666140110231029
Full text		Article (Published version) (926 Kb) - Limited access to UNIGE
Structures		Faculté des sciences / Section de chimie et biochimie / Département de chimie physique
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

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Deposited on : 2015-06-09

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