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11.
The adaptive cross approximation (ACA) algorithm (Numer. Math. 2000; 86 :565–589; Computing 2003; 70 (1):1–24) provides a means to compute data‐sparse approximants of discrete integral formulations of elliptic boundary value problems with almost linear complexity. ACA uses only few of the original entries for the approximation of the whole matrix and is therefore well‐suited to speed up existing computer codes. In this article we extend the convergence proof of ACA to Galerkin discretizations. Additionally, we prove that ACA can be applied to integral formulations of systems of second‐order elliptic operators without adaptation to the respective problem. The results of applying ACA to boundary integral formulations of linear elasticity are reported. Furthermore, we comment on recent implementation issues of ACA for non‐smooth boundaries. Copyright © 2006 John Wiley & Sons, Ltd. 相似文献
12.
《Magnetic resonance in chemistry : MRC》2003,41(2):139-142
Bioassay‐guided fractionation of the methanol extract of Odontadenia macrantha afforded a new limonoid, odontadenin A (1) and two known triterpenoids, lupeol (2) and α‐amyrin (3). The structure of 1 was established on the basis of 1D and 2D NMR and high‐resolution fast atom bombardment mass spectrometric data. The new compound was found to possess moderate cytotoxicity against A2780, the ovarian cancer cell line. Copyright © 2003 John Wiley & Sons, Ltd. 相似文献
13.
N. A. Anikin A. S. Mendkovich M. B. Kuzminskiy A. M. Andreev 《Russian Chemical Bulletin》2008,57(2):428-430
A new fast computational method for mass calculations of docking complexes by the AM1/PM3 semiempirical methods is proposed.
The computation time is shortened by at least an order of magnitude compared to alternative schemes of quantum chemical calculations.
The root-mean-square deviation of the AM1 calculated energies of formation of complexes from the results obtained by conventional
diagonalization procedure is at most 0.4 kcal mol−1.
Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 2, pp. 418–420, February, 2008. 相似文献
14.
The mechanism of the slowly opened Q-switch operation was investigated thoroughly. Maximum energy extraction from the resonator
could be optimized, and the smallest output beam divergence could be achieved. In this article, we present a detailed analysis
that has numerically verified the mode-selection mechanism in the slowly opened Q-switch operation, and the degree of the
smaller output laser beam divergence that has been achieved. The mechanism of the slowly opened Q-switch operation is the
inherent advantage of the passive saturable absorber in this operation. We can use the maximum energy extraction and the smallest
output beam divergence results of the slowly opened Q-switch operation to design and optimize various passive saturable absorbers:
plastic dye sheets, LiF:F2− color center crystals, Cr4+: YAG crystals, RG1000 color glass filters, and the single crystal semiconductor saturable absorber wafers that are in developed
in our microchip laser systems. 相似文献
15.
本文研究DNA的两两序列比时,提出了基于快速沃尔什变换的新方法。经过计算模拟分析可知,比对的时间复杂度和空间复杂度明显降低. 相似文献
16.
Christian Maes 《Journal of statistical physics》1990,61(3-4):667-681
An anisotropic lattice gas dynamics is investigated for which particles on
d
jump to empty nearest neighbor sites with (fast) rate –2 in a specified direction and some particular configuration-dependent rates in the other directions. The model is translation and reflection invariant and is particle conserving. The space coordinate in the fast-rate direction is rescaled by –1. It follows that the density field converges in probability, as 0, to the corresponding solution of a nonlinear diffusion-type equation. The microscopic fluctuations about the deterministic macroscopic evolution are determined explicitly and it is found that the stationary fluctuations decay via a power law (1/r
d
) with the direction dependence of a quadrupole field. 相似文献
17.
J. A. M. Janssen 《Journal of statistical physics》1989,57(1-2):187-198
The master equation for a complex chemical reaction cannot always be reduced to a simpler master equation, even if there are fast and slow individual reaction steps. Nevertheless the elimination of intermediates can be carried out with the help of the-expansion. This is illustrated with a well-known complex reaction: the dissociation of N2O5. It is shown that the intrinsic fluctuations in the N2O5 decay are larger than those implied by the master equation suggested by the macroscopic rate law. 相似文献
18.
本文研究了18种α-氨基酸的快原子轰击质谱,发现添加三氟乙酸溶液能显著提高灵敏度,改善谱图。特征碎片主要有中性丢失CO2H2,H2O,NH3的离子以及R^+离子。侧链的性质决定了碎片的产生和离子的强弱。 相似文献
19.
本文拟定了一个催化荧光法测定痕量铜的新方法,确定了该催化反应的速度方程式和反应级数。方法检测限达0.1ng Cu/ml,相对标准偏差为3.7%,具有较好的选择性,可不经分离直接用于头发样品中铜的测定,回收及对照实验结果令人满意。 相似文献
20.
Sadahito Aoshima Tomohide Yoshida Arihiro Kanazawa Shokyoku Kanaoka 《Journal of polymer science. Part A, Polymer chemistry》2007,45(10):1801-1813
Our recent extensive research on Lewis acid catalysts with a weak base for the cationic polymerization of vinyl ethers led to unprecedented living reaction systems: fast living polymerization within 1–3 s; a wide choice of metal halides containing Al, Sn, Fe, Ti, Zr, Hf, Zn, Ga, In, Si, Ge, and Bi; and heterogeneously catalyzed living polymerization with Fe2O3. The use of added bases for the stabilization of the propagating carbocation and the appropriate selection of Lewis acid catalysts were crucial to the success of such new types of living polymerizations. In addition, the base‐stabilized living polymerization allowed the quantitative synthesis of star‐shaped polymers with a narrow molecular weight distribution via polymer‐linking reactions and the precision synthesis and self‐assembly of stimuli‐responsive block copolymers. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 1801–1813, 2007. 相似文献