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Local environments and valence electron counts primarily determine the electronic states and physical properties of transition‐metal complexes. For example, square‐planar coordination geometries found in transition‐metal oxometalates such as cuprates are usually associated with the d8 or d9 electron configuration. In this work, we address an unusual square‐planar single oxoanionic [IrO4]4− species,...
Der Zufall hilft: Ab‐initio‐Rechnungen wurden für die globale Suche nach lokalen Minima auf der Energiehyperfläche von GeF2 genutzt, um stabile Konfigurationen für eine mögliche Festkörpersynthese vorherzusagen. Der Ansatz ist in der Lage, sinnvolle Strukturen einschließlich des Effekts freier Elektronenpaare wiederzugeben.
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