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61.
62.
Q. Sun Q. Wang X.G. Gong V. Kumar Y. Kawazoe 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2002,18(1):77-81
We report results of the atomic and electronic structures of Al7C cluster using ab initio molecular dynamics with ultrasoft pseudopotentials and generalized gradient approximation. The lowest energy structure is
found to be the one in which carbon atom occupies an interstitial position in Al7 cluster. The electronic structure shows that the recent observation [Chem. Phys. Lett. 316, 31 (2000)] of magic behavior of Al7C- cluster is due to a large highest occupied and lowest unoccupied molecular orbital (HOMO-LUMO) gap which makes Al7C- chemically inert. These results have further led us to the finding of a new neutral magic cluster Al7N which has the same number of valence electrons as in Al7C- and a large HOMO-LUMO gap of 1.99 eV. Further, calculations have been carried out on (Al7N)2 to study interaction between magic clusters.
Received 28 July 2001 相似文献
63.
运用层析法、结晶法从狭苞橐吾全草中分离得到艾里莫芬烷型倍半萜8β-hydroxyeremophil-7(11)-ene-12,8α(4β,6α)-diolide化合物,并通过质谱、核磁共振氢谱和碳谱、氢核-氢核相关谱、异核多量子相干谱和异核多键相干谱进行结构鉴定.其单晶经X射线衍射测试表明,其晶体属正交晶系,空间群为P212121,晶胞参数为: a=6.8519(5),b=10.7191(8),c=18.5942(14)A,V=1365.67(18) A3,Z=4,Dc=1.354 mg/m3.F(000)=592,μ=0.101 mm-1 相似文献
64.
C. Maurel 《Surface science》2006,600(2):442-447
Light emitted in the tunneling junction of a scanning tunneling microscope has been used to establish the electrical characteristics of nanojunctions made of Au islands deposited on flat MoS2 surfaces. It is shown that these characteristics are those of rectifying contacts when the gold islands are isolated and that they evolve toward those of ohmic contacts when the island density increases. It is observed that the rectifying behavior also evolves over time as on infinite metal/semiconductor contacts. Using the STM tip, single gold islands can be manipulated on the MoS2 surface so that their electrical behavior can be changed depending on their position with regard to the other islands. 相似文献
65.
The present paper devotes to the long-time behavior of a class of reaction diffusion equations with delays under Dirichlet boundary conditions. The stability and global attractability for the zero solution are provided, and the existence, stability and attractability for the positive stationary solution are also obtained. 相似文献
66.
Th. Seyller K.V. Emtsev F. Speck A. Tadich J.D. Riley O. Rader A.M. Shikin 《Surface science》2006,600(18):3906-3911
Photoelectron spectroscopy, low-energy electron diffraction, and scanning probe microscopy were used to investigate the electronic and structural properties of graphite layers grown by solid state graphitization of SiC(0 0 0 1) surfaces. The process leads to well-ordered graphite layers which are rotated against the substrate lattice by 30°. On on-axis 6H-SiC(0 0 0 1) substrates we observe graphitic layers with up to several 100 nm wide terraces. ARUPS spectra of the graphite layers grown on on-axis 6H-SiC(0 0 0 1) surfaces are indicative of a well-developed band structure. For the graphite/n-type 6H-SiC(0 0 0 1) layer system we observe a Schottky barrier height of ?B,n = 0.3 ± 0.1 eV. ARUPS spectra of graphite layers grown on 8° off-axis oriented 4H-SiC(0 0 0 1) show unique replicas which are explained by a carpet-like growth mode combined with a step bunching of the substrate. 相似文献
67.
68.
我国上市公司资本结构影响因素实证分析 总被引:17,自引:0,他引:17
本文选取了可能影响企业资本结构的多个指标变量进行分析 ,利用主成分分析提供的方法将变量综合成彼此互不相关的少数几个主成分。再用主成分 (作为回归自变量 )对企业的 5种资本负债比 (作为回归因变量 )进行多元回归分析 ,得出了影响企业资本结构的主要因素 ,以及这些因素与企业资本结构之间的关系 ,为企业确定资本结构提供参考依据 ,为企业财务决策提供支持。 相似文献
69.
A FUNDAMENTAL SOLUTION FOR THE LAPLACE OPERATOR ON THE QUATERNIONIC HEISENBERG GROUP 总被引:2,自引:0,他引:2
朱理 《数学物理学报(B辑英文版)》2002,22(3)
In this paper, the author studies the Laplace operator on the quaternionic Heisenberg group, construct a fundamental solution for it and use this solution to prove the Lp-boundedness and the weak (1-1) boundedness of certain singular convolution operators on the quaternionic Heisenberg group. 相似文献
70.
Milan Medved? 《Journal of Mathematical Analysis and Applications》2002,267(2):643-650
A criterion for the nonexplosion of solutions to semilinear evolution equations on Banach spaces is proved. The result is obtained by applying a modification of the Bihari type inequality to the case of a weakly singular nonlinear integral inequality. 相似文献