Chimie Théorique Inorganique

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Rationalisation of Complex Architectures


Chemists synthesize complex objects such as transition metal clusters and chalcogenide glasses with fascinating structural and physical properties. Our work aims at better understanding these materials using quantum chemical tools. A special attention is paid to the rationalization of the connections between stoichiometry, geometry and electronic structure.

Molecular inorganic clusters of transition metals

Molecular inorganic clusters of transition metals

Clusters of transition metals and/or main-group atoms occupy a central role in chemistry. Aspects of cluster chemistry impinge on various domains from organometallic chemistry, through (...)

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Structure and physical properties of chalcogenide amorphous materials

Structure and physical properties of chalcogenide amorphous materials

Chalcogenide glasses exhibit a large spectrum of physical properties, such as large transparency windows, reversible amorphous-to-crystal transition, high linear and nonlinear refractive indices, (...)

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