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261.
A. Hagfeldt S. Lunell H. O. G. Sieghbahn 《International journal of quantum chemistry》1994,49(2):97-104
The energy levels of small titanium oxide clusters [(TiO2)2, and (TiO2H)3, and (TiO2H)2] have been calculated using ab initio SCF methods. Both crystal and relaxed geometries have been considered. Systematic changes in the valencelevel structure resulting from geometry relaxation are found, which may be related to band-gap changes experimentally observed for small titanium oxide particles. In addition, a Ti? OH local surface state is found to be well described within a limited cluster model. © 1994 John Wiley & Sons, Inc. 相似文献
262.
Robert G. Parr 《International journal of quantum chemistry》1994,49(3):135-144
The helium atom in its ground state, subject to strong magnetic fields, is treated using a variational method. Trial functions consisting of Gaussians with nonlinear parameters variationally optimized are used. The form of these functions is a generalized s-symmetry-state properly modified to admit spatial deformation along the direction on which the magnetic field is applied. © 1994 John Wiley & Sons, Inc. 相似文献
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The capability of gated saturable absorbers for single-pulse selection is studied theoretically using the classical space-time-dependent rate-equation model. The dynamics of operation is followed experimentally by the well-known pump—probe technique. Comparing the theoretical and experimental results, it is found that gated saturable absorbers can efficiently be used for pulse forming and pulse selection of pulses longer than picosecond. 相似文献
268.
E. N. Yurchenko G. E. Kramareva N. G. Zubritskaya T. P. Gaidei 《Reaction Kinetics and Catalysis Letters》1995,55(2):425-432
In the Russian Scientific Center Applied Chemistry catalysts have been developed for the gas-phase fluorination of organics, including chlorine-containing substances, hydrogenation and reductive amination of organic substances, decomposition of liquid substances to gases, complete oxidation and reduction, suitable for environment at protection. 相似文献
269.
V. A. Nebol'sin B. M. Darinskii E. E. Popova A. A. Shchetinin 《Russian Physics Journal》1995,38(10):1023-1026
An estimate of the factors which influence the rate of growth of filamentary silicon crystals in a standard chloride system using a quartz reactor with hot walls is given. It is shown that a diffusion form of crystallization is observed under the conditions investigated.Voronezh State Technical University. Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 10, pp. 22–26, October, 1995. 相似文献
270.
F. G. Vagizov 《Hyperfine Interactions》1995,95(1):85-95
We present the results of an experimental investigation of a RF splitting of57Fe hyperfine lines in the regime of NMR and Mössbauer double resonance. The experiments have been performed as a function of RF field intensity and static magnetic field magnitude. The intensity of the RF components and the separation between them are extremely sensitive to the frequency and amplitude of the RF magnetic field. The RF splitting of hyperfine lines is inversely proportional to the strength of the static magnetic field. 相似文献