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71.
Jack Harrowfield Dominique Matt 《Journal of inclusion phenomena and macrocyclic chemistry》2004,50(3-4):133-150
The problems involved in identifying and quantifying labile interactions considered to influence complex compound structures are highlighted through the assessment of four different families of metal complexes for which extensive crystallographic data are available. Modification of the charge distribution within a ligand molecule as a result of coordination is one factor with a number of ramifications. A detailed analysis of evidence for both intra- and inter-molecular attractions in dimethylsulfoxide complexes of metal perchlorates is used to provide a basis for the consideration of weak interactions between complex ions involving forces including phenyl-group attractions, hydrogen bonding and cavity inclusion. 相似文献
72.
Introduction In the previous studies on the oxidation reaction,peroxydisulfate was widely used as an oxidizingagent.1-5 One of the advantages of this oxidant lies in itsstability in a wide range of pH values. The reaction be-tween Fe(CN)5L3- (L=N-aromatic heterocyclic li-gands) and S2O8 2- has been proved to proceed throughan outer-sphere electron transfer mechanism.5 For a re-action [(Eq. (1)] to be under an outer-sphere mechanismthe steps involved are the formation of a reactant … 相似文献
73.
XiaoMinSUN DaChengFENG ZhengTingCAI 《中国化学快报》2004,15(6):749-752
For the Na I2 collision system, theoretical study is performed on the QCISD(T) level by using ab initio method. The ab initio potential energy surfaces are got and on them the long-lived complexes are found and optimized. These results verify the crossed molecule beam experimental phenomenon and the detailed geometry structures are given for the first time. The role of the complexes in the reaction path is also described in detail. 相似文献
74.
FengSHI HongYangLI XiaoJunPENG RongZHANG XiaoQiangCHEN JiangLiFAN LiChengSUN 《中国化学快报》2004,15(12):1407-1410
As photosensitizer for solar cell, a new ruthenium (Ⅱ) complex with four ester groups had been synthesized, in which a phenol substituted by {[(2-hydroxy-5-tert-butylbenzyl)(pyridyl-2-methyl)amino]methyl} is covalently linked to ruthenium (Ⅱ) tris-bipyridine. The structures of the new compounds were confirmed by NMR and ESI-MS spectra. The electrochemical and photochemical properties were also studied. 相似文献
75.
76.
Clemens Heuberger 《Periodica Mathematica Hungarica》2004,49(2):65-89
We study digit expansions with arbitrary integer digits in base q (q integer) and the Fibonacci base such that the sum of the absolute values of the digits is minimal. For the Fibonacci case, we describe a unique minimal expansion and give a greedy algorithm to compute it. Additionally, transducers to calculate minimal expansions from other expansions are given. For the case of even integer bases q, similar results are given which complement those given in [6]. 相似文献
77.
We present a characterization of confluence for term rewriting systems, which is then refined for special classes of rewriting systems. The refined characterization is used to obtain a polynomial time algorithm for deciding the confluence of ground term rewrite systems. The same approach also shows the decidability of confluence for shallow and linear term rewriting systems. The decision procedure has a polynomial time complexity under the assumption that the maximum arity of a function symbol in the signature is a constant. 相似文献
78.
Marko Nedeljkov 《Mathematical Methods in the Applied Sciences》2004,27(8):931-955
This work gives a condition for existence of singular and delta shock wave solutions to Riemann problem for 2×2 systems of conservation laws. For a fixed left‐hand side value of Riemann data, the condition obtained in the paper describes a set of possible right‐hand side values. The procedure is similar to the standard one of finding the Hugoniot locus. Fluxes of the considered systems are globally Lipschitz with respect to one of the dependent variables. The association in a Colombeau‐type algebra is used as a solution concept. Copyright © 2004 John Wiley &Sons, Ltd. 相似文献
79.
Sergue A. Nazarov Maria Specovius‐Neugebauer 《Mathematical Methods in the Applied Sciences》2004,27(13):1507-1544
The approximation of solutions to boundary value problems on unbounded domains by those on bounded domains is one of the main applications for artificial boundary conditions. Based on asymptotic analysis, here a new method is presented to construct local artificial boundary conditions for a very general class of elliptic problems where the main asymptotic term is not known explicitly. Existence and uniqueness of approximating solutions are proved together with asymptotically precise error estimates. One class of important examples includes boundary value problems for anisotropic elasticity and piezoelectricity. Copyright © 2004 John Wiley & Sons, Ltd. 相似文献
80.
Continuous dependence on a modelling parameter is established for solutions of a problem for a complex Ginzburg–Landau equation. A homogenizing boundary condition is also used to discuss the continuous dependence results. We derive a priori estimates that indicate that solutions depend continuously on a parameter in the governing differential equation. Copyright © 2004 John Wiley & Sons, Ltd. 相似文献