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Itinerant 5f electrons in U2T21B6 (T=Ni and Co)

✍ Scribed by J. Kitagawa; M. Ishikawa


Book ID
119373374
Publisher
Elsevier Science
Year
2013
Tongue
English
Weight
280 KB
Volume
153
Category
Article
ISSN
0038-1098

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The ab initio electronic structure calculations at the MP2 and the Becke Ε½ . 3LYP density functional levels in conjunction with the 6-311qqG 2 df, 2 pd basis set were used for the determination of the structure, vibrational spectra, and dissociation 2q 2q Ε½ . energies of the XH and XH X s C, Si, Ge