A computational study into the reactivity of epichlorohydrin and epibromohydrin under basic conditions in the gas phase and solution

Ab initio molecular orbital calculations were carried out on epibromohydrin (EBH) and epichlorohydrin (ECH) in an attempt to elucidate their reactivity with respect to a hard nucleophile, hydroxide. These systems were modeled in both the gas phase and a polar solvent under basic conditions. In the gas phase, it was determined that a direct displacement mechanism (nucleophilic attack at the C1 position) was operative for EBH, while an indirect pathway (nucleophilic attack at the C3 position and subsequent intramolecular displacement) was followed for ECH. In an acetone solution, only the indirect displacement mechanism was found to occur. An electrostatic argument is advanced to account for this behavior in polar solution. Copyright © 2007 John Wiley & Sons, Ltd.     

Continuity of the Solution Map in Parametric Affine Variational Inequalities

A systematic study of the upper semicontinuity and the lower semicontinuity of the solution map in parametric affine variational inequalities is given in this paper. Several examples are constructed to analyze the results. This work was supported by Korea Research Foundation Grant (KRF 2001-015-DP0049), the APEC Postdoctoral Fellowships Program, and the KOSEF Brain Pool Program.     

On the properties of solutions to the Goursat-Darboux problem with boundary and distributed controls

We consider a control system described by the Goursat-Darboux equation. The system is controlled by distributed and boundary controls. The controls are subject to the constraints given as multivalued mappings with closed, possibly nonconvex, values depending on the phase variable. Alongside the initial constraints, we consider the convexified constraints and the constraints whose values are the extreme points of the convexified constraints. We study the questions of existence of solutions and establish connections between the solutions under various constraints.     

第三类Painlevé方程(δ=0或γ=0)解的渐近性态

对带有一般实参数第三类Painlevé方程,已有γ<0,δ>0时,解的有界性以及振荡渐近解的表达形式的结论.在本文中,我们给出当δ=0或γ=0时其振荡渐近解的表达形式.     

Insight into chain dimensions in PEO/water solutions

Small‐Angle Neutron Scattering has been performed from poly(ethylene oxide) in deuterated water at temperature ranging from 10 to 80 °C. A simple fitting model was used to obtain a correlation length and a Porod exponent. The correlation length L characterizes the average distance between entanglements in the semidilute region and is proportional to the individual coil sizes in the dilute region. L was found to increase with temperature in the semidilute region but it decreases with temperature in the dilute region. This decrease is the precursor to the single‐chain collapse which applies to very dilute polymer solutions. © 2007 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 45: 2196–2200, 2007     

Numerical Computation of Figure-eight Solution for 3-body Problems

The main goal of this paper is to compute the Figure-eight solutions for the planar Newtonian 3-body problem with equal masses by finding the critical points of the functional associated with the motion equations of 3-body in plane R2. The algorithm adopted here is the steepest descent method, which is simple but very valid for our problem.     

Periodic solutions for p-Laplacian neutral functional differential equation with multiple deviating arguments

By using the theory of coincidence degree, we study a kind of periodic solutions to p-Laplacian neutral functional differential equation with multiple deviating arguments, a new result on the existence of periodic solutions is obtained.     

Periodic and subharmonic solutions of a class of subquadratic second-order Hamiltonian systems

Some solvability conditions of periodic and subharmonic solutions are obtained for a class of subquadratic nonautonomous second-order Hamiltonian systems by the minimax methods in critical point theory.     

基于RBC模型的动态随机一般均衡的数值解

以一般均衡为框架,引入随机变量的动态随机一般均衡系统,由于模型的庞大和函数形式的复杂,往往不能给出明确的数值解.本文给出几种操作性强的、有效的寻求一般化模型数值解的方法,并通过介绍模型参数确定的办法,使得理论的模型有了现实的含义.     

The Cauchy Problem of the Nonlinear Schr■dinger Equations in R~(1 1)

In this paper,we consider the local and global solution for the nonlinear Schrdinger equationwith data in the homogeneous and nonhomogeneous Besov space and the scattering result for small data.Thetechniques to be used are adapted from the Strichartz type estimate,Kato's smoothing effect and the maximalfunction(in time)estimate for the free Schrdinger operator.