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Ab initio study of some fundamental properties of the M3X (M=Cr, V; X=Si, Ge) compounds

✍ Scribed by T. Chihi; M. Fatmi; M.A. Ghebouli


Book ID
116834081
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
299 KB
Volume
407
Category
Article
ISSN
0921-4526

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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