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211.
利用密度泛函理论研究了Al12N和Al12B团簇的原子结构和电子性质,通过各种异构体的比较,发现两种掺杂团簇的最低能量结构都是完好的二十面体(Ih)结构,N(B)原子占据在二十面体的中心.高对称性团簇形成稀疏离散的电子态密度和大的电子能隙.在Al-N之间发生较大的电荷转移.因此我们建议把Al12N团簇看作是碱金属超原子,Al12B团簇看作是卤素超原子,用来构造团簇组装固体. 相似文献
212.
Bandcrossing in 31 rotational bands of 25 different odd-A nuclei in the rare-earth region has been analysed by using a two-band mixing formalism with a constant band interaction within
the framework of the effective decoupling picture. The interband interaction strengthV between the one-quasiparticle band and the three-quasiparticle band exhibits a variation with the neutron number which is
not different from the oscillatory behaviour observed in even-even nuclei and does not show signs of any appreciable phase
shifting as predicted by theory. However, the overall range of variation ofV is greater than that observed in even-even systems. 相似文献
213.
S. Loridant G. LucazeauT. Le Bihan 《Journal of Physics and Chemistry of Solids》2002,63(11):1983-1992
A high-pressure structural study of SrCeO3 has been performed at room temperature by Raman spectroscopy and X-ray diffraction up to 32 and 45 GPa, respectively. A first-order reversible phase transition is observed at about 12 GPa in both techniques. A second weak structural change, taking place between 18 and 25 GPa, can be suspected from Raman data. The increase in the number of Raman bands and diffraction lines is an indication that the symmetry is lowered and the compound does not evolve towards the ideal cubic perovskite structure. A Rietveld analysis of X-ray data was performed for the low-pressure phase and the atomic positions and the cell lattice parameters variations are reported in this paper. The volume compressibility derived from Raman modes (5.6×10−12 Pa−1), involving mainly bond-stretching for each type of polyhedron, is found to be close to the one obtained from volume cell variations measured by X-ray diffraction (7.9×10−12 Pa−1). 相似文献
214.
215.
Michal Johanis Jan Rychtá r 《Proceedings of the American Mathematical Society》2007,135(5):1511-1514
It is shown that every separable Banach space admits an equivalent norm that is uniformly Gâteaux smooth and yet lacks asymptotic normal structure.
216.
Certain condition on the second fundamental form of CR submanifolds of maximal CR dimension of complex Euclidean space 总被引:1,自引:0,他引:1
We treat m-dimensional real submanifolds M of complex space forms ̿M when the maximal holomorphic tangent subspace is (m−1)-dimensional. On these manifolds there exists an almost contact structure F which is naturally induced from the ambient space and in this paper we study the condition h(FX,Y)−h(X,FY) = g(FX,Y)η, η∊ T⊥(M), on the structure F and on the second fundamental form h of these submanifolds. Especially when the ambient space ̿M is a complex Euclidean space, we obtain a complete classification of submanifolds M which satisfy these conditions.Mathematics Subject Classifications (2000): 53C15, 53C40, 53B20. 相似文献
217.
E. V. Voronina E. P. Yelsukov A. V. Korolyov A. E. Yelsukova 《Hyperfine Interactions》2006,168(1-3):1079-1083
The experimental data from Mössbauer spectroscopy and magnetic measurements are presented as functions of the temperature and external magnetic field for a B2-type ordered Fe 66 Al 34 alloy. 相似文献
218.
Sokolova T. N. Grishin Yu. K. Timofeev I. V. Kartashov V. R. 《Russian Chemical Bulletin》1994,43(6):1044-1047
Regiochemistry and stereochemistry of the addition of mercury salts to benzobarrelene and tetrafluorobenzobarrelene have been studied in acetic acid and methanol. The effect of the substrate structure on the regiochemistry of the reaction is discussed.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 6, pp. 1105–1108, June, 1994. 相似文献
219.
S. S. Batsanov 《Russian Chemical Bulletin》1994,43(2):199-201
Experimental data are used to determine the atomic volumes and radii of the elements of subgroups IV–VIIA in the structures of metallic phases at high pressures. Metallic radii of nonmetals are compared with values based on Pauling and Goldschmidt calculations.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 2, pp. 220–222, February, 1994. 相似文献
220.