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11.
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
12.
A.Y. El-Etre 《Applied Surface Science》2006,252(24):8521-8525
The inhibitive effect of the extract of khillah (Ammi visnaga) seeds, on the corrosion of SX 316 steel in HCl solution was determined using weight loss measurements as well as potentiostatic technique. It was found that the presence of the extract reduces markedly the corrosion rate of steel in the acid solution. The inhibition efficiency increases as the extract concentration is increased. The inhibitive effect of khillah extract was discussed on the basis of adsorption of its components on the metal surface. Negative values were calculated for the energy of adsorption indicating the spontaneity of the adsorption process. The formation of insoluble complexes as a result of interaction between iron cations and khellin, which present in the extract, was also discussed. 相似文献
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The structural evolution in amorphous silicon and germanium thin films has been investigated by high-resolution transmission electron microscopy (HRTEM) in conjunction with autocorrelation function (ACF) analysis. The results established that the structure of as-deposited semiconductor films is of a high density of nanocrystallites embedded in the amorphous matrix. In addition, from ACF analysis, the structure of a-Ge is more ordered than that of a-Si. The density of embedded nanocrystallites in amorphous films was found to diminish with annealing temperature first, then to increase. The conclusions also corroborate well with the results of diminished medium-range order in annealed amorphous films determined previously by a variable coherence microscopy method. 相似文献
15.
Julio Castellanos 《Mathematische Zeitschrift》2002,239(4):777-802
We consider complete ideals supported on finite sequences of infinitely near points, in regular local rings with dimensions
greater than two. We study properties of factorizations in Lipman special *-simple complete ideals. We relate it to a type
of proximity, linear proximity, of the points, and give conditions in order to have unique factorization. Several examples
are presented.
Received: 2 February 2000 / in final form: 14 March 2001 / Published online: 18 January 2002 相似文献
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Y.Y. Lee 《Applied Acoustics》2002,63(11):1157-1175
The nonlinear natural frequency of a rectangular box, which consists of one flexible plate and five rigid plates, is studied in this paper. The flexible plate is assumed to vibrate like a simple piston. The behavior of the structural-acoustic coupling between the flexible plate and the air cavity is analyzed by using the proposed finite element modal method. The system finite element equation is reduced and expressed in terms of the modal coordinates with small degrees of freedom by using the proposed reduction method. The system nonlinear stiffness matrix representing the large amplitude vibration can be transformed to be a constant modal matrix. The natural frequencies are determined by using the harmonic balance method to solve the eigenvalue equations of the structural-acoustic system. The effect of the cavity depth on the natural frequencies and convergence studies are discussed in detail. 相似文献
18.
Claudia-Elisabeth Wulz 《Czechoslovak Journal of Physics》2002,52(3):C155-C170
The principal physics goals of the Compact Muon Solenoid experiment under construction at the Large Hadron Collider at CERN in Geneva are reviewed. Procedures to search for the Standard Model Higgs boson, supersymmetric Higgses and other supersymmetric particles are described. 相似文献
19.
Purification and some properties of squalene-2,3-epoxide: lanosterol cyclase from rat liver 总被引:1,自引:0,他引:1
Squalene-2,3-epoxide: lanosterol cyclase was purified from rat liver in five steps as a soluble and homogeneous protein. The purified enzyme showed a single band on SDS-polyacrylamide gel electrophoresis with a molecular weight of 75 kD. In its native state it behaved as a homo-dimer. The isoelectric point of 5.5 and the apparent Km value for (3S)-squalene-epoxide of 55 microM were estimated for the cyclase. 相似文献
20.