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Electronic and magnetic properties of the iron borate Fe2BO4

✍ Scribed by A.P. Douvalis; V. Papaefthymiou; A. Moukarika; T. Bakas

Book ID
110315021
Publisher
Springer
Year
2000
Tongue
English
Weight
107 KB
Volume
126
Category
Article
ISSN
0304-3843

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## Abstract The geometrical and electronic structures of Al(BO~2~)~__n__~ and Al(BO~2~)~__n__~^βˆ’^ (__n__ = 1–4) clusters are computed at different levels of theory including density functional theory (DFT), hybrid DFT, double‐hybrid DFT, and second‐order perturbation theory. All aluminum borates ar