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41.
The cocrystal of 1,2-bis(diphenylphosphinoyl)ethane (DPPEO) with phenol (1:1) were studied theoretically with AM1, PM3, MNDO and MINDO/3 semi-empirical methods to elucidate its structure. The bond lengths and angles from theoretical studies of molecule DPPEO/phenol (1:1) were found to be as expected. Theoretical results, concerning with intermolecular van der Waals forces in cocrystal, were compared with the previously obtained experimental data and AM1 results were found to be the best fit for bond lengths and angles of DPPEO/phenol. 相似文献
42.
Based on the Fourier transform method, a simple closed-form expression for the on-axis power spectrum of ultrashort Gaussian pulsed beams in diffraction at a circular aperture is derived, which permits us to study spectral changes both analytically and numerically. It is shown that for diffracted pulsed beams there exist spectral red and blue shifts, spectral narrowing, and spectral switches in the near field. The aperture diffraction plays an important role in spectral switching, but both the truncation parameter and bandwidth (or equally, Fourier transform limited pulse duration) affect the behavior of spectral switches. 相似文献
43.
The room temperature structure of perovskite CeAlO3 has been reinvestigated by X-ray powder diffraction. The Rietveld refinement has confirmed the tetragonal symmetry; but revealed a super cell, a=5.32489(6) Å and c=7.58976(10) Å, with the space group I4/mcm. In CeAlO3, the distortion from the ideal cubic perovskite is caused by the cooperative tilting of the AlO6 octahedra around the primitive cubic [001]p-axis. 相似文献
44.
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46.
M. A. Bertolim M. P. Mello K. A. de Rezende 《Transactions of the American Mathematical Society》2005,357(10):4091-4129
In this article the main theorem establishes the necessity and sufficiency of the Poincaré-Hopf inequalities in order for the Morse inequalities to hold. The convex hull of the collection of all Betti number vectors which satisfy the Morse inequalities for a pre-assigned index data determines a Morse polytope defined on the nonnegative orthant. Using results from network flow theory, a scheme is provided for constructing all possible Betti number vectors which satisfy the Morse inequalities for a pre-assigned index data. Geometrical properties of this polytope are described.
47.
B.V. Raghavaiah 《Journal of Physics and Chemistry of Solids》2004,65(6):1153-1164
PbO-Sb2O3 glasses added with different concentrations of As2O3 (10-55 mol%) were prepared to understand their IR spectra, elastic properties (Young's modulus E, Shear modulus G, microhardness H), optical absorption and dielectric properties (constant ε, loss tan δ, ac conductivity σac over a moderately wide range of frequency and temperature and breakdown strength in air medium at room temperature). Results have indicated that the structure of the PbO-Sb2O3-As2O3 glass is more rigid when the concentration of As2O3 is around 40 mol%. 相似文献
48.
We examine several interesting relationships and expressions involving Fourier-Feynman transform, convolution product and
first variation for functionals in the Fresnel class F(B) of an abstract Wiener space B. We also prove a translation theorem and Parseval's identity for the analytic Feynman integral.
This revised version was published online in June 2006 with corrections to the Cover Date. 相似文献
49.
Ergodic isospectral theory of the Lax pairs of Euler equations with harmonic analysis flavor 总被引:2,自引:0,他引:2
Y. Charles Li 《Proceedings of the American Mathematical Society》2005,133(9):2681-2687
Isospectral theory of the Lax pairs of both 3D and 2D Euler equations of inviscid fluids is developed. Eigenfunctions are represented through an ergodic integral. The Koopman group and mean ergodic theorem are utilized. Further harmonic analysis results on the ergodic integral are introduced. The ergodic integral is a limit of the oscillatory integral of the first kind.
50.
K. K. Turgunov B. Tashkhodzhaev L. V. Molchanov Kh. M. Shakhidoyatov 《Journal of Structural Chemistry》2004,45(5):912-916
The structure of bis-(2,3-pentamethylene-3,4-dihydro-4-oxoquinazolinium) tetrachlorocuprate (II) sesquihydrate, (C13H15N2O)2[CuCl4]·1.5H2O, was determined by single crystal X-ray diffraction. In contrast to the previously studied analogs, the compound contains crystallization water molecules.Original Russian Text Copyright © 2004 by K. K. Turgunov, B. Tashkhodzhaev, L. V. Molchanov, and Kh. M. Shakhidoyatov__________Translated from Zhurnal Strukturnoi Khimii, Vol. 45, No. 5, pp. 955–959, September–October, 2004. 相似文献