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Theoretical study of structure and physical properties of (Al 2 O 3 ) n clusters

✍ Scribed by Sharipov, A S; Loukhovitski, B I; Starik, A M


Book ID
121484951
Publisher
Royal Swedish Academy of Sciences
Year
2013
Tongue
English
Weight
903 KB
Volume
88
Category
Article
ISSN
0031-8949

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## Abstract __Ab initio__ calculations of structural stability and properties of selected IIIa–Va monomers (BN, BP, AlN, AlP), and dimers and trimers thereof are presented. It was demonstrated that multireference methods are needed for an appropriate description of the electronic structure of the d