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991.
The problem of homoaromaticity in mono-, di- and polyfluorinated- homotropylium cations is addressed by the B3LYP/6-311++G** DFT method. The energetic, structural and magnetic criteria are used for this purpose. They convincingly show that the ground state equilibrium species are aromatic, or in other words that the homoaromaticity is preserved by the (poly)fluorination. In contrast, a considerable decrease in the aromatic stabilization is observed in the transition structures (TS). According to the NICS(0) index, they vary form strongly antiaromatic, via weakly and non-aromatic to slightly aromatic transition states. However, the hierarchy of the aromaticity in fluorinated homotropylium ions predicted by NICS(0) is completely unrelated to that obtained by using the energy criterion assuming a kinetic definition of aromaticity. On the other hand the latter is closely related to geometric parameters of the equilibrium and transition structures. 相似文献
992.
The paper presents an efficient finite volume method for unstructured grids with rotating sliding parts composed of arbitrary polyhedral elements for both single‐ and two‐phase flows. Mathematical model used in computations is based on the ensemble averaged conservation equations. These equations are solved for each phase and in case of single‐phase flow reduce to the transient Reynolds‐averaged Navier–Stokes (TRANS) equations. Transient flow induced by rotating impellers is thus resolved in time. The use of unstructured grids allows an easy and flexible meshing for the entire flow domain. Polyhedral cell volumes are created on the arbitrary mesh interface placed between rotating and static parts. Cells within the rotating parts move each time step and the new faces are created on the arbitrary interfaces only, while the rest of the domain remain ‘topologically’ unchanged. Implicit discretization scheme allows a wide range of time‐step sizes, which further reduce the computational effort. Special attention is given to the interpolation practices used for the reconstruction of the face quantities. Mass fluxes are recalculated at the beginning of each time step by using an interpolation scheme, which enhances the coupling between the pressure and velocity fields. The model has been implemented into the commercially available CFD code AVL SWIFT (AVL AST, SWIFT Manual 3.1, AVL List GmbH, Graz, Austria, 2002). Single‐phase flow in a mixing vessel stirred by a six‐bladed Rushton‐type turbine and two‐phase flow in aerated stirred vessel with the four‐blade Rushton impeller are simulated. The results are compared with the available experimental data, and good agreement is observed. The proposed algorithm is proved to be both stable and accurate for single‐phase as well as for the two‐phase flows calculations. Copyright 2004 John Wiley & Sons, Ltd. 相似文献
993.
S. Han H. Kühn F. W. Hsing K. Münnemann B. Blümich S. Appelt 《Journal of magnetic resonance (San Diego, Calif. : 1997)》2004,167(2):187
We have visualized the melting and dissolution processes of xenon (Xe) ice into different solvents using the methods of nuclear magnetic resonance (NMR) spectroscopy, imaging, and time resolved spectroscopic imaging by means of hyperpolarized 129Xe. Starting from the initial condition of a hyperpolarized solid Xe layer frozen on top of an ethanol (ethanol/water) ice block we measured the Xe phase transitions as a function of time and temperature. In the pure ethanol sample, pieces of Xe ice first fall through the viscous ethanol to the bottom of the sample tube and then form a thin layer of liquid Xe/ethanol. The xenon atoms are trapped in this liquid layer up to room temperature and keep their magnetization over a time period of 11 min. In the ethanol/water mixture (80 vol%/20%), most of the polarized Xe liquid first stays on top of the ethanol/water ice block and then starts to penetrate into the pores and cracks of the ethanol/water ice block. In the final stage, nearly all the Xe polarization is in the gas phase above the liquid and trapped inside the pores. NMR spectra of homogeneous samples of pure ethanol containing thermally polarized Xe and the spectroscopic images of the melting process show that very high concentrations of hyperpolarized Xe (about half of the density of liquid Xe) can be stored or delivered in pure ethanol. 相似文献
994.
N. A. Demekhina G. S. Karapetyan S. M. Lukyanov Yu. E. Penionzhkevich N. K. Skobelev A. B. Yakushev 《Physics of Atomic Nuclei》2004,67(8):1417-1423
The absolute values of the cross sections for the production of target fragments in the interaction of copper with 7Li ions at an energy of 35 MeV per nucleon were measured. The measurements were performed by recording the yields of radioactive nuclear residues with the aid of a semiconductor detector from ultrapure germanium. The charge and isobaric distributions in the mass-number range 22–69 amu were used to deduce the mass yield of reaction products and to calculate the total interaction cross section. The results are presented that were derived from a comparison with data obtained for 12C + Cu reactions and with estimates based on theoretical models. 相似文献
995.
A. N. Vasiliev V. N. Grishin A. M. Davidenko A. A. Derevschikov Yu. A. Matulenko Yu. M. Melnik A. P. Meschanin V. V. Mochalov L. V. Nogach S. B. Nurushev A. F. Prudkoglyad P. A. Semenov L. F. Soloviev V. L. Solovianov V. Yu. Khodyrev K. E. Shestermanov A. E. Yakutin N. S. Borisov V. N. Matafonov A. B. Neganov Yu. A. Plis Yu. A. Usov A. N. Fedorov A. A. Lukhanin 《Physics of Atomic Nuclei》2004,67(8):1487-1494
Results are presented that were obtained by measuring single-spin asymmetry in the inclusive production of neutral pions in the reaction p+p ↑→ π 0+X at x F≈0. A beam of 70-GeV protons was extracted directly from the vacuum chamber of the accelerator by means of a bent single crystal. For transverse momenta in the range 1.0<p T<3.0 GeV/c, the single-spin asymmetry independently measured by two detectors is zero within the errors. This result is in agreement with Fermilab data obtained at 200 GeV, but it is at odds with CERN data measured at 24 GeV. 相似文献
996.
P. K. Kashkarov B. V. Kamenev M. G. Lisachenko O. A. Shalygina V. Yu. Timoshenk M. Schmidt J. Heitmann M. Zacharias 《Physics of the Solid State》2004,46(1):104-108
The photoluminescence spectra and kinetics of both erbium-doped and undoped multilayer structures of quasi-ordered silicon
nanocrystals in a silicon dioxide matrix were studied. It was shown that the optical excitation energy of silicon nanocrystals
2–3 nm in size can be practically completely transferred to Er3+ ions in the oxide surrounding the nanocrystals, with its subsequent radiation at 1.5 μm. Possible reasons for the high excitation
efficiency of the Er3+ ions are discussed, and the conclusion is drawn that the F?rster mechanism is dominant in the energy transfer processes occurring
in these structures.
__________
Translated from Fizika Tverdogo Tela, Vol. 46, No. 1, 2004, pp. 105–109.
Original Russian Text Copyright ? 2004 by Kashkarov, Kamenev, Lisachenko, Shalygina, Timoshenko, Schmidt, Heitmann, Zacharias. 相似文献
997.
V. F. Tarasenko S. B. Alekseev V. M. Orlovskii V. G. Shpak S. A. Shunailov 《Technical Physics》2004,49(8):982-986
Conditions are studied under which an electron beam and a volume discharge with a subnanosecond rise time of a voltage pulse
are produced in air under atmospheric pressure. It is shown that the electron beam appears in a gas-filled diode at the front
of the voltage pulse in ∼0.5 ns, has a half-intensity duration of ≤0.4 ns and an average electron energy of ∼0.6 of the voltage
across the gas-filled diode, and terminates when the voltage across the gap reaches its maximum value. The electron beam with
an average electron energy of 60 to 80 keV and a current amplitude of ≥70 A is obtained. It is assumed that the electron beam
is formed from electrons produced in the gap due to gas ionization by fast electrons when the intensity of the field between
the front of the expanding plasma cloud and the anode reaches its critical value. A nanosecond volume discharge with a specific
power input of ≥400 MW/cm3, a density of the discharge current at the anode of up to 3 kA/cm2, and specific energy deposition of ∼1 J/cm3 over 3 to 5 ns is created. 相似文献
998.
999.
1000.
Acoustical Physics - A method for calculating the resulting field of an opaque radiator and the field scattered by an inhomogeneous inclusion in a planar layered waveguide is described. The... 相似文献