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7Li-NMR on β-LiAl: Diffusion and electronic properties

✍ Scribed by D. Clausen; I. Burmester; P. Heitjans; A. Schirmer

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
555 KB
Volume
70-71
Category
Article
ISSN
0167-2738

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## Abstract The static (hyper)polarizabilities of the dimer and trimer with diffuse excess electrons, [Li^+^[calix[4]pyrrole]Li^−^]~n~, are firstly investigated by the DFT(B3LYP) method in detail. For the dimer and trimer, a Li atom inside each calix[4]pyrrole unit is ionized to form a diffuse exce