Electron spectroscopy and density-functional study of ‘ferric wheel’ molecules
نویسندگان
چکیده
منابع مشابه
Electron Spectroscopy and Density-functional Study of “ferric Wheel” Molecules
The Li-centered “ferric wheel” molecules with six oxo-bridged iron atoms form molecular crystals. We probed their electronic structure by X-ray photoelectron (XPS) and soft X-ray emission spectroscopy (XES), having calculated in parallel the electronic structure of a single “ferric wheel” molecule from first-principles by tools of the density-functional theory, using, specifically, the Siesta m...
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ژورنال
عنوان ژورنال: Journal of Physics and Chemistry of Solids
سال: 2004
ISSN: 0022-3697
DOI: 10.1016/j.jpcs.2003.11.025