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Ab initio Investigation of the Electronic and Geometric Structure of Magnesium Diboride, MgB2.

✍ Scribed by Demeter Tzeli; Aristides Mavridis


Publisher
John Wiley and Sons
Year
2006
Weight
8 KB
Volume
37
Category
Article
ISSN
0931-7597

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✦ Synopsis


Abstract

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The electronic structure of transition metal containing molecules are extremely complicated and extensive calculations are required for reliable descriptions. In spite of this the results can often be interpreted in simple terms. The electronic structure of PdC is consistent with the molecular orbit