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21.
P. E. M. Siegbahn 《Theoretical chemistry accounts》1994,88(6):413-424
Summary The ground state structures and bond energies have been obtained for the triatomic MHX systems where M is the entire sequence of second row transition metal atoms and X is a halide. The most interesting results of this study appear when these systems are compared to the triatomic MH2 and MX2 systems. It turns out that the structure of the MHX systems are quite similar to the corresponding MH2 systems in general. Most of the MHX systems to the right thus have bent low-spin ground states, indicating large covalent contributions to the bonding. RuHX is a special case and has a high-spin linear ground state. For the systems to the left ionicity dominates the bonding. An important result, with implications for halide ligand effects on carbonyl and olefin insertion into M-H and M-R bonds, is that the M-H bonds for the systems to the right have a different character and are significantly weaker for the MHX than for the MH2 systems. A similar effect is noted when the M-Cl bond strengths of MCl2 are compared to the ones in MHCl. Both these effects can be explained by a more cationic metal with mores
0-state character when halide ligands are present. 相似文献
22.
Using recursive variants of Baire notions of nowhere dense and meagre sets we study the topological size of speedable and infinitely often speedable functions in a machine-independent framework. We show that the set of speedable functions is not “small” whereas the set of infinitely often speedable functions is “large”. In this way we offer partial answers to a question in [4]. 相似文献
23.
Wu Shengjian 《数学年刊B辑(英文版)》1994,15(4):453-462
Suppose that f(z)is a meromorphic function of order λ(0<λ<+∞)and of lower order μ in the plane.Let ρ be a positive number such that μ≤ρ≤λ.(1)If f^(l)(z)(0≤l<+∞)has p(1≤p<+∞)finite nonzero deficient valnes αi(i=1,…,p)with deficiencies δ(αi,f^(l)),then f(z)has a (0,∞)accumulative line of order ≥ρin any angular domain whose vertex is at the origin and whose magnitude is larger than max(π/ρ,2π-4/ρ ∑i=1^p arcsin √δ(αi,f^(l))/2).(2)If f(z) has only p(0<p<+∞)(0,∞),accumulative lines of order≥ρ:arg z=θk(0≤θ1<θ2<…<θp<2π,θp+1=θ1+2π),then λ≤π/ω,where ω=min I≤k≤p(θk+1-θk),provided that f^(l)(z)(0≤l<+∞)has a finite nonzero deficient value. 相似文献
24.
25.
复合广义齐次Poisson过程的多险种破产概率 总被引:11,自引:0,他引:11
于文广 《应用数学与计算数学学报》2003,17(2):63-69
本文推广了经典的复合泊松风险模型,建立了两类复合广义齐次poisson过程的多险种破产模型.对于新模型,我们得到了初始资本为u的破产概率φ(u)的精确表达式以及特殊情况下φ(0)的表达式,并且导出了调节系数方程和调节系数R的上下界. 相似文献
26.
Using the full-potential linearized augmented plane wave (FP-LAPW) method, we have studied the effect of chemistry on the average intercalation voltage (AIV) caused by the Na ions intercalating into transition metal oxides. The effect of transition metal was systematically studied by varying M=Co, Ni and Mn in NaMO2 and fixing the α-NaFeO2 layered structure. The effect of the guest atoms into the host material is discussed in terms of the structural and electronic properties. Comparatively to Li intercalation, a significant electron transfer towards transition metal was found. This observation suggests that the transition metal contribute to the AIV determination and confirms the common assumption that intercalated electron reduces M4+ to M3+. 相似文献
27.
In this paper, existence criteria are established for the existence of periodic solutions of a second order sublinear differential equation with delay and forcing function. Our method is based on careful a priori estimation and continuation theorems, and our sublinear condition is an improvement of the boundedness condition in some recent results. 相似文献
28.
The best-r-point-average (BRPA) estimator of the maximizer of a regression function, proposed in Changchien (in: M.T. Chao, P.E. Cheng (Eds.), Proceedings of the 1990 Taipei Symposium in Statistics, June 28–30, 1990, pp. 63–78) has certain merits over the estimators derived through the estimation of the regression function. Some of the properties of the BRPA estimator have been studied in Chen et al. (J. Multivariate Anal. 57 (1996) 191) and Bai and Huang (Sankhya: Indian J. Statist. Ser. A. 61 (Pt. 2) (1999) 208–217). In this article, we further study the properties of the BRPA estimator and give its convergence rate under some quite general conditions. Simulation results are presented for the illustration of the convergence rate. Some comparisons with existing estimators such as the Müller estimator are provided. 相似文献
29.
The existing model for multivariate skew normal data does not cohere with the joint distribution of a random sample from a
univariate skew normal distribution. This incoherence causes awkward interpretation for data analysis in practice, especially
in the development of the sampling distribution theory. In this paper, we propose a refined model that is coherent with the
joint distribution of the univariate skew normal random sample, for multivariate skew normal data. The proposed model extends
and strengthens the multivariate skew model described in Azzalini (1985,Scandinavian Journal of Statistics,12, 171–178). We present a stochastic representation for the newly proposed model, and discuss a bivariate setting, which confirms
that the newly proposed model is more plausible than the one given by Azzalini and Dalla Valle (1996,Biometrika,83, 715–726). 相似文献
30.
Bilal Chanane. 《Mathematics of Computation》2005,74(252):1793-1801
The purpose in this paper is to compute the eigenvalues of Sturm-Liouville problems with quite general separated boundary conditions nonlinear in the eigenvalue parameter using the regularized sampling method, an improvement on the method based on Shannon sampling theory, which does not involve any multiple integration and provides higher order estimates of the eigenvalues at a very low cost. A few examples shall be presented to illustrate the power of the method and a comparison made with the the exact eigenvalues obtained as squares of the zeros of the exact characteristic functions.