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1.
The Effect of the Spacer of Bis(biurea) Ligands on the Structure of A2L3‐type (A=anion) Phosphate Complexes 下载免费PDF全文
Prof. Biao Wu Dr. Shaoguang Li Prof. Yibo Lei Prof. Huaiming Hu Dr. Nader de Sousa Amadeu Prof. Dr. Christoph Janiak Dr. Jennifer S. Mathieson Dr. De‐Liang Long Prof. Leroy Cronin Prof. Xiao‐Juan Yang 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(6):2588-2593
By tuning the length and rigidity of the spacer of bis(biurea) ligands L, three structural motifs of the A2L3 complexes (A represents anion, here orthophosphate PO43?), namely helicate, mesocate, and mono‐bridged motif, have been assembled by coordination of the ligand to phosphate anion. Crystal structure analysis indicated that in the three complexes, each of the phosphate ions is coordinated by twelve hydrogen bonds from six surrounding urea groups. The anion coordination properties in solution have also been studied. The results further demonstrate the coordination behavior of phosphate ion, which shows strong tendency for coordination saturation and geometrical preference, thus allowing for the assembly of novel anion coordination‐based structures as in transition‐metal complexes. 相似文献
2.
In this paper, we examine a variant of the uncapacitated lot-sizing model of Wagner–Whitin that includes fixed charges on the stocks. Such a model is natural in a production environment where stocking is a complex operation, and appears as a subproblem in more general network design problems.
Linear-programming formulations, a dynamic program, the convex hull of integer solutions and a separation algorithm are presented. All these turn out to be very natural extensions of the corresponding results of Barany et al. (Math. Programming Stud. 22 (1984) 32) for the uncapacitated lot-sizing problem. The convex hull proof is based on showing that an extended facility location formulation is tight and by projecting it onto the original space of variables. 相似文献
3.
In single-objective optimization it is possible to find a global optimum, while in the multi-objective case no optimal solution is clearly defined, but several that simultaneously optimize all the objectives. However, the majority of this kind of problems cannot be solved exactly as they have very large and highly complex search spaces. Recently, meta-heuristic approaches have become important tools for solving multi-objective problems encountered in industry as well as in the theoretical field. Most of these meta-heuristics use a population of solutions, and hence the runtime increases when the population size grows. An interesting way to overcome this problem is to apply parallel processing. This paper analyzes the performance of several parallel paradigms in the context of population-based multi-objective meta-heuristics. In particular, we evaluate four alternative parallelizations of the Pareto simulated annealing algorithm, in terms of quality of the solutions, and speedup. 相似文献
4.
We establish the convergence of the finite difference scheme for the nonlinear equations of population dynamics proposed by Guertin and MacCamy. The applicability of the discrete equations to establish qualitative properties of the solution to the continuous problem is also illustrated. 相似文献
5.
Rafael Ortega 《Journal of Dynamics and Differential Equations》1992,4(4):651-665
This paper gives sufficient conditions for the existence of periodic solutions of twist type of a time-dependent differential equation of the second order. The concept of periodic solution of twist type is defined in terms of the corresponding Birkhoff normal form and, in particular, implies that the solution is Lyapunov stable. Some applications to nonlocal problems are given. 相似文献
6.
We show that the racemic states of the B 2 phase of liquid crystals composed of banana-shaped molecules do not satisfy the Curie principle. Thus it is argued that these states cannot exist in bulk samples and the homochiral states constitute the only stable microscopic structures. A reinterpretation of the racemic states with the same macroscopic optical behaviour is proposed in terms of mixtures of the homochiral structures. 相似文献
7.
J. P. Leroy J. Micheli G. C. Rossi K. Yoshida 《Zeitschrift fur Physik C Particles and Fields》1990,48(4):653-661
In this paper we present a non-trivial check of the consistency of the quantization of a gauge theory with fermions (QCD) in the temporal gauge. We use the approach based on the finite time Feynman propagation kernel, in which the Gauss law is imposed as a constraint on the states by means of a functional integration over all the time independent gauge transformations acting on the boundary values of the fields. We spell out in detail the “Feynman rules” when fermions are present and we compute, as an example, the gauge invariant correlation function $$\begin{gathered} G(t) = \left\langle {\bar \psi (0,t)(\gamma _5 \gamma _0 )\frac{{1 - \gamma _0 }}{2}P} \right. \hfill \\ \left. { \cdot \exp \left( {ig\int\limits_0^t {A_0 (0,t')dt'} } \right)(\gamma _5 \gamma _0 )^ + (0,0)} \right\rangle \hfill \\ \end{gathered} $$ up to orderg 2, obtaining the expected result. 相似文献
8.
Summary The good Boussinesq equationu
tt
=–u
xxxx
+u
xx
+(u
2)
xx
has recently been found to possess an interesting soliton-interaction mechanism. In this paper we study the nonlinear stability and the convergence of some simple finite-difference schemes for the numerical solution of problems involving the good Boussinesq equation. Numerical experimentas are also reported. 相似文献
9.
J. Málek J. šesták F. Rouquerol J. Rouquerol J. M. Criado A. Ortega 《Journal of Thermal Analysis and Calorimetry》1992,38(1-2):71-87
The applicability of both conventional Thermal Analysis (TA) and Controlled Rate Thermal Analysis (CRTA) for kinetic analysis is discussed. It is shown that TA method can give a reliable kinetic information and meaningful kinetic parameters especially for solid state transformation. On the other hand the CRTA method is more suitable for decomposition process where one or more gasses are evolved. A consistent and reliable method of kinetic analysis is proposed for both techniques. This method is illustrated to analyze the crystallization process of chalcogenide glass and the decomposition of dolomite. 相似文献
10.
We establish here the convergence (thereby proving the existence) of a semi-discrete scheme for the quasilinear hyperbolic equation where x ∈ Rn, t ∈ [0,T], and ? ∈ L∞ (Rn). It is well known that the above problem does not necessarily have global classical solutions and the usual concepts of weak solution. do not lead to a unique solution The existence of a unique solution to the above problem in a suitable sense was established in [3], where a parabolic problem obtained by introducing the term ??Δu was studied and then the behavior as ? → 0 was discussed. A difference scheme approach to a problem of the above type where ?i does not depend on x and t and Ψ does not depend on u was also studied in [2]. The aim of this paper is to present a proof for the case when ? depends on x, Ψ depends on u, and the technical complications in this case are nontrivial. The discussions in this paper my be considered as continuation of the ideas in the above papers. 相似文献