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- W2002000815 abstract "Mit Funktionalen, die nicht mehr nur von der Elektronendichte, sondern auch von den Orbitalen abhängen, scheinen einige Probleme, die Dichtefunktionalmethoden seit langem beeinträchtigen, gelöst zu werden. Neue quantenchemische Ansätze und Techniken ermöglichen die detaillierte und routinemäßige Untersuchung von Molekülen in elektronisch angeregten Zuständen. In der Clusterchemie erweisen sich theoretische Zugänge unterschiedlicher Komplexität als wertvolle Partner des Experiments." @default.
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- W2002000815 date "2002-03-01" @default.
- W2002000815 modified "2023-10-03" @default.
- W2002000815 title "Theoretische Chemie 2001" @default.
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- W2002000815 doi "https://doi.org/10.1002/nadc.20020500310" @default.
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