Study on the covalence of Cu and chemical bonding in an inorganic fullerene-like molecule, [CuCl]20[Cp*FeP5]12 [Cu-(CH3CN)+2Cl-]5, by a density functional approach

The electronic structure and chemical bonding in a recently synthesized inorganic fullerene-like molecule, [CuCl]₂₀[Cp*FeP₅]₁₂[Cu-(CH₃CN) ⁺ ₂Cl⁻]₅ has been studied by a density functional approach. Geometrical optimization of the three basic structural units of the molecule is performed with Amsterdam Density Functional Program. The results are in agreement with the experiment. Localized MO’s obtained by Boys-Foster method give a clear picture of the chemical bonding in this molecule. The reason why CuCl can react with Cp*FeP₅ in solvent CH₃CN to form the fullerene-like molecule is explained in terms of the soft-hard Lewis acid base theory and a new concept of covalence.     

Optimality Conditions and Geometric Properties of a Linear Multilevel Programming Problem with Dominated Objective Functions

In this paper, a model of a linear multilevel programming problem with dominated objective functions (LMPPD(l)) is proposed, where multiple reactions of the lower levels do not lead to any uncertainty in the upper-level decision making. Under the assumption that the constrained set is nonempty and bounded, a necessary optimality condition is obtained. Two types of geometric properties of the solution sets are studied. It is demonstrated that the feasible set of LMPPD(l) is neither necessarily composed of faces of the constrained set nor necessarily connected. These properties are different from the existing theoretical results for linear multilevel programming problems.     

Functional inequalities on abstract Hilbert spaces and applications

We study the essential spectrum and the semigroup property for self-adjoint operators on abstract Hilbert spaces by using functional inequalities. Some known results obtained on the L ² -space w.r.t. a measure space are generalized. The functional inequality is also used to study non-symmetric semigroups. Mathematics Subject Classification (2000): 49R20, 58F19.Research supported in part by NNSFC (10121101, 10025105), TRAPOYT and the 973-Project.     

Hydromagnetic rotating flow of a fourth‐order fluid past a porous plate

The rotating flow in the presence of a magnetic field is a problem belonging to hydromagnetics and deserves to be more widely studied than it has been to date. In the non‐linear regime the literature is scarce. We develop the governing equations for the unsteady hydromagnetic rotating flow of a fourth‐order fluid past a porous plate. The steady flow is governed by a boundary value problem in which the order of differential equations is more than the number of available boundary conditions. It is shown that by augmenting the boundary conditions based on asymptotic structures at infinity it is possible to obtain numerical solutions of the nonlinear hydromagnetic equations. Effects of uniform suction or blowing past the porous plate, exerted magnetic field and rotation on the flow phenomena, especially on the boundary layer structure near the plate, are numerically analysed and discussed. The flow behaviours of the Newtonian fluid and second‐, third‐ and fourth‐order non‐Newtonian fluids are compared for the special flow problem, respectively. Copyright © 2004 John Wiley & Sons, Ltd.     

Covering vertices of a graph by k disjoint cycles

Let d, k and n be three integers with k3, d4k−1 and n3k. We show that if d(x)+d(y)d for each pair of nonadjacent vertices x and y of a graph G of order n, then G contains k vertex-disjoint cycles converting at least min{d,n} vertices of G.     

ASYMPTOTIC BEHAVIOR OF SOLUTIONS OF NONLINEAR DELAY DIFFERENTIAL EQUATIONS

Sufficient conditions are established for the asymptotic behavior of solutionsof nonlinear delay differential equations x′(t)+sum from i=1 to m(pi(t)x(t-т_i))=F(t,x_t),t≥0where 0<т_1<т_2<…<т_m≤r,pi∈C([0,∞)),i=1,2,…,m,F∈C([0,∞)×C_0,R).C_0=C([-r,0],R)equipped with the sup norm ||·|| forsome r>0. A new result is established, some known results are improved.     

ON A SET OF h-HARMONIC HOMOGENEOUS POLYNOMIALS

1　IntroductionLet Sd- 1 bethe unitsphere of Rd,Πdthe space of allpolynomialsofd variables,and x(i)= (x1 ,… ,xi) (i=1 ,… ,d) .In this paper,we are concerned with the homogeneous polyno-mials orthogonal with the weightfunction h(x(d) ) =x2 k11 …x2 kdd on Sd- 1 ,where ki≥ 0 (i=1 ,… ,d) .Connected with the weightfunction h(x(d) ) are the following differential-differenceoperators introduced by Charles F. Dunkl in [3 ] ,Dip(x(d) ) = p(x(d) ) xi+ di=1kip(x(d) ) -p(x1 ,… ,-xi,… ,xd)xi,Δ…     

Spectra Analysis of a Novel Ti-Doped LiAlO2 Single Crystal

LiAlO2 single crvstals doped with Ti at concentration 0.2at.% are grown by the Czochralskl technique with dimensions φ42×55mm. Ti ions in the crystal are quadrivalence proven by comparing the absorption and fluorescence spectra of pure LiAlO2 and Ti： LiAlO2. After air and Li-rich atmosphere annealing, the absorption peaks in the range of 600-800nm disappear. We conclude that 682 and 756nm absorption peaks are attributed to the VLi and Vo absorptions, respectively： The peaks at 716nm and 798nm may stem from the VLi^＋ and absorptions. The colour-centre model can be applied to explain the experimental phenomena. Ti^4＋-doping produces more lithium vacancies in the LiAlO2 crystal. The intensities of [LiO4] and the associated bonds remain unchanged, which improves the anti-hydrolyzation and thermal stability of LiAlO2 crystals.     

Mean curvature flows and isotopy of maps between spheres

Let f be a smooth map between unit spheres of possibly different dimensions. We prove the global existence and convergence of the mean curvature flow of the graph of f under various conditions. A corollary is that any area‐decreasing map between unit spheres (of possibly different dimensions) is isotopic to a constant map. © 2004 Wiley Periodicals, Inc.     

Matrix extensions and eigenvalue completions, the generic case

In this paper we provide new necessary and sufficient conditions for the so-called eigenvalue completion problem.