C2（a 3Πu）+NO 的反应机理研究

在G2 (CC ,MP2 )理论水平上研究了C2 (a3 Πu)自由基与NO分子的反应 .计算了反应体系最低二重态势能面上各驻点的构型参数、振动频率和能量 ,揭示了此反应存在两种反应机理 :由NO中的O原子进攻C2 自由基形成CCON中间体的CCON机理和NO中的N进攻C2 自由基形成CCNO中间体的CCNO机理 ,分析了对应与这两种反应机理的五个可能的反应通道 ,得出了由NO中的N原子进攻3 C2 自由基 ,生成中间体CCNO自由基 ,最终得到产物CN +CO的通道是最有利的通道 .     

Lattice mechanical properties of some fcc f-shell metals

A pseudopotential depending on an effective core radius is proposed to study the binding energy, equation of state, ion-ion interaction, phonon dispersion curves (q-space and r-space analysis), mode Grüneisen parameters and dynamical elastic constants of some fcc f-shell metals La, Yb, Ce and Th. The contribution of the s-like electrons is calculated in the second-order perturbation theory for the potential while d and f-like electron is taken into account by introducing repulsive short-range Born-Mayer term. The parameter of the potential is evaluated by zero pressure condition. An excellent agreement between theoretical investigations and experimental findings is achieved which confirms the present formalism     

Nonlinear Boundary Layers of the Boltzmann Equation: I. Existence

 We study the half-space problem of the nonlinear Boltzmann equation, assigning the Dirichlet data for outgoing particles at the boundary and a Maxwellian as the far field. We will show that the solvability of the problem changes with the Mach number ℳ^∞ of the far Maxwellian. If ℳ^∞<−1, there exists a unique smooth solution connecting the Dirichlet data and the far Maxwellian for any Dirichlet data sufficiently close to the far Maxwellian. Otherwise, such a solution exists only for the Dirichlet data satisfying certain admissible conditions. The set of admissible Dirichlet data forms a smooth manifold of codimension 1 for the case −1<ℳ^∞<0, 4 for 0<ℳ^∞<1 and 5 for ℳ^∞>1, respectively. We also show that the same is true for the linearized problem at the far Maxwellian, and the manifold is, then, a hyperplane. The proof is essentially based on the macro-micro or hydrodynamics-kinetic decomposition of solutions combined with an artificial damping term and a spatially exponential decay weight. Received: 20 April 2002 / Accepted: 4 December 2002 Published online: 21 March 2003 Communicated by H.-T. Yau     

An Improved Synthesis of Retinoic Acid from β-Ionone

A convenient and large-scale preparation of retinoic acid 1 from β-ionone in five steps with 38% overall yield is described.The key steps are the epoxidization of 2 with a new methylated agent and the condensation 4 with tetraethyl methylenediphophonate in one-pot procedure to prepare 6.     

Silane photoabsorption spectra mear the Si 2p thresholds：the geometry of Si 2p excited SiH4

Based on the multiple-scattering self-consistent-field method, we have studied the photoabsorption spectra near the Si 2p thresholds of silane. According to our calculations, the clear assignments of the inner-shell photoabsorption spectra are provided. In comparison with the high-resolution experimental spectra, the geometric structure of the Si 2p-excited SiH_{4}^{**} is recommended to be of a C_{2v} symmetry. More specifically, the Si 2p-excited SiH_{4}^{**} have two bond lengths of 2.50 a.u. and another two bond lengths of 2.77 a.u., and the corresponding two bond angles are 104.0° and 112.5° respectively.     

Decay and regularity for dispersive equations with constant coefficients

This article discusses some smoothing estimates of the initial value problem for dispersive equations with constant coefficients. In particular, it is shown that a certain condition for the principal part of the symbol (see the assumption (1.3) below, which is equivalent to the one “of principal type” in the paper by Ben-Artzi and Devinatz [2]) is necessary and sufficient for the maximal smoothing in space-time. Dedicated to Professor Norio Shimakura The author was supported in part by Grant-in-Aid for Scientific Research, Ministry of Education, Culture, Sports, Science and Technology, Japan (No. 13640187).     

Sets with two associative operations

In this paper we consider duplexes, which are sets with two associative binary operations. Dimonoids in the sense of Loday are examples of duplexes. The set of all permutations carries a structure of a duplex. Our main result asserts that it is a free duplex with an explicitly described set of generators. The proof uses a construction of the free duplex with one generator by planary trees.     

Duffing-van der Pol振子随机分岔的全局分析

应用广义胞映射方法研究了参激和外激共同作用的Duffing-van der Pol振子的随机分岔.以 系统参数通过某一临界值时，如果系统的随机吸引子或随机鞍的形态发生突然变化，则认为 系统发生随机分岔为定义，分析了参激强度和外激强度的变化对于随机分岔的影响.揭示了 随机分岔的发生主要是由于系统的随机吸引子与系统的随机鞍碰撞产生的.分析表明，广义 胞映射方法是分析随机分岔的有力工具，这种全局分析方法可以清晰地给出随机分岔的发生 和发展. 关键词： 随机分岔 全局分析 广义胞映射方法 随机吸引子 随机鞍