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Electronic structure, equilibrium and magnetic properties of Ni2MnGe: Ab initio study

✍ Scribed by Maria Pugaczowa-Michalska


Book ID
116600516
Publisher
Elsevier Science
Year
2007
Tongue
English
Weight
701 KB
Volume
427
Category
Article
ISSN
0925-8388

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The equilibrium structure and two important molecular properties, the dipole moment and the nuclear quadrupole coupling constants, of diazirine have been investigated theoretically at high level of theory. Very accurate results, which can be favourably compared to the experiment, are presented. As f